data_1xwe_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 1xwe _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.497 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 9.5 m-20 . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 111.347 0.128 . . . . 0.0 111.347 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' 1516 ' ' GLN . 12.4 p 39.88 -145.33 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' 1591 ' ' ALA . . . -63.86 77.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.447 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' 1514 ' ' CYS . 20.6 pt20 -42.48 137.14 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.283 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.563 ' HE2' ' HB3' ' A' 1591 ' ' ALA . 25.7 mmt -113.46 172.01 7.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.014 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -117.55 173.53 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.825 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.49 154.37 36.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.99 -41.85 25.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.85 111.03 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 10.7 t70 -154.86 121.78 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.755 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.454 HD23 ' HB3' ' A' 1641 ' ' ALA . 93.4 mt -77.02 99.69 5.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1524 ' ' THR . . . . . 0.447 HG22 HG13 ' A' 1525 ' ' ILE . 8.9 t -175.39 -28.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.517 ' HB ' ' HE1' ' A' 1642 ' ' PHE . 60.4 mt -89.83 108.41 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.1 m -85.62 178.05 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.03 68.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.55 -23.34 56.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 49.6 m -66.87 -28.36 68.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.98 0.419 . . . . 0.0 110.759 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.547 HH21 ' HG ' ' A' 1600 ' ' LEU . 46.0 mtp180 -95.7 12.47 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.693 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.769 ' HE2' HD13 ' A' 1653 ' ' ILE . 3.6 tppp? -119.72 -52.44 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.311 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -54.96 -20.75 9.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.459 . . . . 0.0 110.204 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.597 ' O ' HG13 ' A' 1539 ' ' ILE . 35.3 m -104.72 -19.96 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.517 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' 1530 ' ' ARG . . . -70.19 -54.61 12.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1535 ' ' CYS . . . . . 0.421 ' HA ' ' HE2' ' A' 1568 ' ' LYS . 4.5 t -71.7 -2.17 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.713 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 39.6 ttpt -58.64 138.77 86.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.84 -40.09 81.74 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.73 2.287 . . . . 0.0 112.813 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.713 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 0.4 OUTLIER -59.36 -19.55 47.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 110.607 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' 1533 ' ' THR . 17.9 mm -102.18 120.55 52.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.206 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -93.29 -30.37 15.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.742 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.566 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.6 p90 -139.43 158.62 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.144 0.497 . . . . 0.0 111.864 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.487 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -149.53 89.33 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.253 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.685 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 16.5 p90 -138.81 164.16 30.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.625 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.57 ' HZ1' ' HB3' ' A' 1544 ' ' LYS . 0.0 OUTLIER -111.31 130.73 55.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.149 179.546 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.818 HG11 ' HA ' ' A' 1563 ' ' LEU . 13.2 m -125.67 -178.92 2.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.661 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 16.4 t -142.07 140.73 32.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.73 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.482 HD13 ' HB2' ' A' 1561 ' ' ALA . 45.2 mm -78.33 137.38 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1548 ' ' THR . . . . . 0.429 ' O ' ' HE3' ' A' 1595 ' ' LYS . 5.2 t -134.51 -17.0 2.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.277 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.722 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 57.8 m -156.71 146.14 20.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 60.8 mt -135.81 138.01 48.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1551 ' ' THR . . . . . 0.538 ' O ' ' HB ' ' A' 1557 ' ' VAL . 64.0 m -115.69 136.67 52.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.894 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 41.0 t -134.2 125.2 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1553 ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' 1556 ' ' PHE . 43.9 mt-10 -116.24 -161.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1554 ' ' ASN . . . . . 0.578 ' N ' HD21 ' A' 1554 ' ' ASN . 0.8 OUTLIER -53.98 -53.1 57.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.195 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.454 HG22 ' N ' ' A' 1556 ' ' PHE . 6.9 m -132.67 -51.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.42 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' 1553 ' ' GLU . 52.0 m-85 -82.21 131.46 35.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.538 ' HB ' ' O ' ' A' 1551 ' ' THR . 8.0 m -125.98 160.78 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.667 ' HG2' HG23 ' A' 1583 ' ' ILE . 86.9 mttt -126.76 170.99 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.794 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' 1581 ' ' THR . 96.6 m-85 -140.7 112.92 7.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.722 ' HB2' ' HB2' ' A' 1549 ' ' SER . 75.8 mmtt -92.08 107.92 19.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.45 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.482 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.32 152.48 50.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.404 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -102.6 141.06 36.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.091 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.818 ' HA ' HG11 ' A' 1545 ' ' VAL . 7.3 tt -77.38 135.4 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' 1545 ' ' VAL . 10.4 mp -92.92 -48.36 6.57 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.008 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.451 ' N ' HD21 ' A' 1563 ' ' LEU . 16.8 t70 -160.37 145.12 14.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.916 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.685 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 59.8 mt -108.7 126.05 65.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.942 0.401 . . . . 0.0 111.887 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' 1542 ' ' ALA . 77.9 m-85 -99.32 -25.0 14.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.421 ' HE2' ' HA ' ' A' 1535 ' ' CYS . 28.9 mtpp -140.33 113.36 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.649 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 45.6 m -46.56 141.08 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.607 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.692 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.58 131.36 10.56 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.646 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.677 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 41.8 mt-10 -60.68 -26.73 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.416 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.543 ' HB3' ' H ' ' A' 1606 ' ' ALA . . . -90.54 67.23 6.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.511 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' 1573 ' ' VAL . 7.2 p 38.19 80.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.058 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.692 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.46 128.73 56.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.496 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.4 160.14 41.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.972 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 24.1 tptm -53.66 110.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.68 ' HA ' ' O ' ' A' 1563 ' ' LEU . 14.5 t70 61.08 80.98 0.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.113 0.482 . . . . 0.0 110.789 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.552 ' H ' ' HB3' ' A' 1563 ' ' LEU . 49.8 p -114.84 -166.68 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.11 102.2 8.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.494 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.705 HD11 ' HE1' ' A' 1582 ' ' PHE . 24.2 pt -108.84 148.4 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.362 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1581 ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' 1559 ' ' TYR . 59.9 m -136.39 118.37 15.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.705 ' HE1' HD11 ' A' 1580 ' ' ILE . 59.8 m-85 -99.69 128.35 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.667 HG23 ' HG2' ' A' 1558 ' ' LYS . 16.1 pt -121.52 149.8 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.534 ' HB3' HD23 ' A' 1621 ' ' LEU . 0.0 OUTLIER -170.08 177.61 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 179.268 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 95.1 mttt -89.17 158.14 18.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.008 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.5 p -75.17 -3.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.002 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.5 p -73.64 0.62 12.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.323 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.584 ' SG ' ' HB1' ' A' 1591 ' ' ALA . 42.7 t -76.34 112.07 12.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 5.0 m -115.24 34.04 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.497 ' OD1' ' HA ' ' A' 1513 ' ' ASP . 15.2 m120 -145.11 -11.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.473 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.584 ' HB1' ' SG ' ' A' 1588 ' ' CYS . . . -127.61 130.22 48.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.347 . . . . 0.0 111.496 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -147.73 103.91 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.67 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.7 mt -82.43 151.44 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 46.3 t -116.13 141.16 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' A' 1548 ' ' THR . 87.3 tttt -79.48 106.35 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 124.75 -17.07 7.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.724 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -92.31 175.03 7.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.028 0.442 . . . . 0.0 111.308 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -116.27 148.64 40.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.628 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -142.36 140.59 32.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 111.378 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.612 HD13 ' HG3' ' A' 1602 ' ' MET . 3.2 tm? -91.72 142.18 27.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.878 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.565 ' H ' HD21 ' A' 1600 ' ' LEU . 87.1 mt -138.6 130.11 36.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.612 ' HG3' HD13 ' A' 1600 ' ' LEU . 17.5 mtm -144.06 104.58 4.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.7 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.565 ' N ' HG21 ' A' 1539 ' ' ILE . . . -167.62 179.59 40.95 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.335 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' 1605 ' ' GLU . 4.6 tppp? -59.41 162.8 4.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.677 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 13.0 pt-20 -62.28 179.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.543 ' H ' ' HB3' ' A' 1572 ' ' ALA . . . -106.7 158.83 16.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.203 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' 1607 ' ' LEU . 3.8 pp -65.03 147.71 52.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.425 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.509 HE21 ' HE2' ' A' 1617 ' ' TYR . 94.9 mt-30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.175 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.509 ' HE2' HE21 ' A' 1608 ' ' GLN . 76.1 m-85 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.773 0.321 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' 1618 ' ' ILE . 0.1 OUTLIER 32.74 94.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.188 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.47 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 59.6 m-85 -49.33 139.63 13.87 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.48 -19.18 17.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.452 2.101 . . . . 0.0 112.38 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' 1584 ' ' LYS . 51.5 tp 54.96 92.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.979 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -121.94 -174.86 2.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 56.9 p -73.78 -28.2 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.468 ' C ' HD13 ' A' 1624 ' ' LEU . 3.8 pp -62.16 -33.09 73.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.36 . . . . 0.0 110.645 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.493 ' O ' HG13 ' A' 1627 ' ' ILE . 47.4 m -59.35 93.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.192 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.427 ' O ' ' HA ' ' A' 1601 ' ' ILE . 63.7 t-105 -59.18 103.85 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.759 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' A' 1600 ' ' LEU . 72.9 mt -119.17 132.52 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.21 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -139.38 117.43 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 20.5 t80 -56.44 121.89 10.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.435 ' CH2' ' HB3' ' A' 1646 ' ' LEU . 2.1 t-105 -99.6 107.43 45.63 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.239 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.446 ' HB2' HD13 ' A' 1643 ' ' LEU . 89.2 Cg_exo -46.8 104.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.502 2.135 . . . . 0.0 112.415 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -53.49 -31.81 47.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -110.1 154.67 22.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.676 HG21 HD11 ' A' 1643 ' ' LEU . 81.8 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.904 0.383 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1641 ' ' ALA . . . . . 0.454 ' HB3' HD23 ' A' 1523 ' ' LEU . . . -143.63 -48.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.899 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.517 ' HE1' ' HB ' ' A' 1525 ' ' ILE . 68.6 t80 -72.05 -18.3 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.517 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.676 HD11 HG21 ' A' 1634 ' ' THR . 86.3 mt -83.86 4.21 30.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -89.67 -35.98 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.049 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -82.83 -24.53 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.486 HD12 HD21 ' A' 1643 ' ' LEU . 86.9 mt -71.47 -33.09 69.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.75 -31.25 71.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -70.85 -39.86 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.569 ' HE1' ' HE3' ' A' 1531 ' ' LYS . 90.9 t80 -69.88 -27.15 64.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -54.89 -54.92 36.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.419 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -86.64 -4.01 59.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.631 ' HA ' HD21 ' A' 1656 ' ' ASN . 23.6 t70 -78.62 -68.94 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.957 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.769 HD13 ' HE2' ' A' 1531 ' ' LYS . 4.8 tp -56.61 -32.52 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.938 0.399 . . . . 0.0 110.974 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.89 -49.75 64.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -91.92 -71.54 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.991 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.631 HD21 ' HA ' ' A' 1652 ' ' ASP . 25.2 m-80 -54.27 -74.76 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.599 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 70.88 157.52 2.37 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.232 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.157 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.684 0.278 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.51 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 16.0 t 51.23 95.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.65 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 74.69 43.96 27.31 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.676 -0.774 . . . . 0.0 111.741 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.7 135.23 19.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.908 0.385 . . . . 0.0 111.199 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.616 ' HE2' HG22 ' A' 1627 ' ' ILE . 85.7 mtp -129.1 167.23 17.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -91.14 169.72 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.16 172.16 6.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -110.1 113.75 26.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 84.1 mt 59.49 97.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.476 ' O ' HG21 ' A' 1524 ' ' THR . 8.4 t70 -160.73 89.16 0.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.586 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.814 ' H ' HD23 ' A' 1523 ' ' LEU . 0.5 OUTLIER -56.36 101.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1524 ' ' THR . . . . . 0.476 HG21 ' O ' ' A' 1522 ' ' ASP . 10.5 t -173.44 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 9.8 mm -60.5 150.74 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1526 ' ' SER . . . . . 0.462 ' HB2' ' OG1' ' A' 1529 ' ' THR . 54.6 m -118.52 140.04 50.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.0 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' 1532 ' ' GLN . 15.2 mm-40 -84.36 -35.5 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1529 ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' 1526 ' ' SER . 78.7 m -57.98 -34.57 70.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.593 HH12 HD21 ' A' 1646 ' ' LEU . 67.7 mtt180 -76.25 -34.22 59.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.736 ' HE2' HD11 ' A' 1653 ' ' ILE . 2.8 tppp? -72.78 -29.21 63.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.166 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.3 mm-40 -61.81 -16.47 50.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.982 0.42 . . . . 0.0 110.362 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.788 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 28.7 m -116.85 -19.29 9.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.617 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' 1531 ' ' LYS . . . -78.81 -25.07 44.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.203 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.8 t -85.43 -14.62 45.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.788 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.8 mtmt -79.28 149.61 72.81 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.9 -11.51 15.35 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.727 2.285 . . . . 0.0 112.418 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.426 ' C ' HD13 ' A' 1539 ' ' ILE . 40.2 tt0 -61.1 -34.43 74.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.769 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.919 HG22 ' HG2' ' A' 1602 ' ' MET . 2.6 mp -112.76 130.15 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.11 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.761 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -95.13 -58.45 2.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.27 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.541 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.2 p90 -105.53 157.28 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.276 0.56 . . . . 0.0 111.922 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' 1568 ' ' LYS . . . -149.53 94.88 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.214 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.765 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 24.1 p90 -144.99 165.86 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.165 0.507 . . . . 0.0 111.873 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.482 ' HE3' ' OH ' ' A' 1567 ' ' TYR . 18.4 ttmt -105.19 141.27 37.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.914 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.757 HG13 ' HA ' ' A' 1563 ' ' LEU . 17.9 m -131.14 179.79 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.998 0.427 . . . . 0.0 111.631 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.508 ' HB3' HD13 ' A' 1564 ' ' LEU . 59.9 p -140.06 115.74 10.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.038 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.679 HD13 ' HB1' ' A' 1561 ' ' ALA . 45.9 mm -59.25 139.01 19.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.596 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 76.9 p -138.76 2.13 2.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.863 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 47.4 t -173.18 160.46 4.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.992 0.425 . . . . 0.0 111.572 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.401 HG21 ' CD1' ' A' 1559 ' ' TYR . 81.1 mt -140.3 111.63 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.622 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 56.5 m -114.23 139.57 49.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.248 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.5 p -140.84 135.83 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -100.1 -75.92 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -145.11 -51.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 88.6 t -124.26 -54.39 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.68 100.87 8.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' 1584 ' ' LYS . 13.7 p -81.35 148.04 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.717 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -134.99 112.4 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.427 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 70.5 m-85 -94.27 138.63 32.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.964 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.863 ' HB3' ' HB3' ' A' 1549 ' ' SER . 4.7 tppp? -99.28 128.34 45.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.679 ' HB1' HD13 ' A' 1547 ' ' ILE . . . -145.7 138.37 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 111.6 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.3 m -91.71 125.19 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.831 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.757 ' HA ' HG13 ' A' 1545 ' ' VAL . 7.4 tt -59.86 130.27 45.94 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' 1546 ' ' SER . 78.1 mt -88.37 -46.56 9.07 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.196 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.476 ' N ' HD22 ' A' 1563 ' ' LEU . 14.5 t70 -169.43 139.97 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.913 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.765 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 61.2 mt -97.27 121.92 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.762 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.482 ' OH ' ' HE3' ' A' 1544 ' ' LYS . 11.3 m-85 -96.61 -17.38 20.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.331 0.586 . . . . 0.0 109.464 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 63.0 tttp -150.05 102.13 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.714 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 24.3 m -41.68 135.55 2.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.068 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.586 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -84.4 139.75 18.41 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.661 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.761 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 29.6 mt-10 -52.42 -22.34 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.122 0.487 . . . . 0.0 110.058 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -86.44 -157.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.671 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.476 ' O ' HG21 ' A' 1573 ' ' VAL . 12.4 p -84.15 42.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.254 0.549 . . . . 0.0 111.006 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.586 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -61.77 130.01 43.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -145.9 145.58 30.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.736 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.431 ' HA ' HD23 ' A' 1563 ' ' LEU . 39.9 ttpt -58.42 126.12 26.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.546 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.711 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.2 t70 64.53 38.49 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.436 ' H ' ' HB3' ' A' 1563 ' ' LEU . 29.7 t -87.79 -178.86 6.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1579 ' ' GLU . . . . . 0.402 ' N ' ' OG ' ' A' 1578 ' ' SER . 41.2 tt0 -107.63 121.51 44.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.512 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.739 HD12 HG11 ' A' 1545 ' ' VAL . 14.6 pt -136.57 149.93 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 111.732 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 53.5 m -128.17 112.74 14.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.547 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.524 ' HA ' ' O ' ' A' 1619 ' ' TYR . 17.9 m-85 -81.22 104.56 11.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.273 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.665 HG21 ' HA ' ' A' 1620 ' ' PRO . 8.2 tt -88.49 123.4 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.722 ' HD3' HD21 ' A' 1621 ' ' LEU . 35.8 ttpt -129.44 168.06 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.775 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.627 ' HB3' HG22 ' A' 1587 ' ' THR . 3.5 mptp? -99.39 136.77 38.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.397 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 35.9 m -77.97 8.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.398 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1587 ' ' THR . . . . . 0.627 HG22 ' HB3' ' A' 1585 ' ' LYS . 6.6 t -93.18 -5.58 49.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.363 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.51 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 83.1 m -65.22 174.87 1.86 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1589 ' ' THR . . . . . 0.445 HG22 ' O ' ' A' 1589 ' ' THR . 6.0 m -148.51 11.34 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -135.07 -19.61 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.331 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -87.02 126.4 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.362 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -139.72 137.53 35.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.792 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.459 ' HB3' HH22 ' A' 1597 ' ' ARG . 98.9 mt -135.66 135.55 40.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.073 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 1.6 p -132.42 100.81 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.408 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 53.5 tttp -45.97 108.78 0.14 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.225 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 153.32 21.45 0.05 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.081 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' A' 1597 ' ' ARG . 0.3 OUTLIER -160.51 -178.57 6.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 111.113 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -107.1 158.58 16.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.494 ' HE2' ' HE ' ' A' 1597 ' ' ARG . 2.3 m-85 -142.96 161.4 38.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 111.595 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.881 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 3.3 tm? -117.1 129.05 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.772 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.595 HD11 HG22 ' A' 1545 ' ' VAL . 2.4 mp -118.02 132.59 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.997 0.427 . . . . 0.0 111.514 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.919 ' HG2' HG22 ' A' 1539 ' ' ILE . 24.8 ttp -150.14 110.65 4.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.108 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.837 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -174.65 -173.12 40.3 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 119.74 -1.219 . . . . 0.0 113.642 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.434 ' H ' HD13 ' A' 1624 ' ' LEU . 23.7 tptp -50.37 161.47 0.3 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.858 0.361 . . . . 0.0 111.372 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.43 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.1 pt-20 -59.95 178.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.464 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' 1619 ' ' TYR . . . -77.78 -170.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.25 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' 1617 ' ' TYR . 94.6 mt -123.14 -168.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.996 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 20.5 pt20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.151 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.52 ' HA ' ' O ' ' A' 1607 ' ' LEU . 3.4 m-85 . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.523 0.201 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.456 HD11 HG23 ' A' 1583 ' ' ILE . 20.6 pt -54.83 155.61 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' 1582 ' ' PHE . 7.7 m-85 -110.54 113.64 55.67 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.013 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1620 ' ' PRO . . . . . 0.665 ' HA ' HG21 ' A' 1583 ' ' ILE . 32.6 Cg_endo -63.51 176.38 2.22 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.492 2.128 . . . . 0.0 112.179 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.722 HD21 ' HD3' ' A' 1584 ' ' LYS . 48.7 tp -143.71 106.71 4.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -142.52 -163.57 1.64 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 45.5 t -67.87 -41.4 82.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.435 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.434 HD13 ' H ' ' A' 1604 ' ' LYS . 0.1 OUTLIER -56.78 -33.14 66.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.806 0.336 . . . . 0.0 110.686 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 85.7 m -75.74 103.36 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.526 ' HB3' ' HB3' ' A' 1602 ' ' MET . 47.6 t-105 -59.9 119.99 8.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.616 HG22 ' HE2' ' A' 1517 ' ' MET . 48.4 mm -115.37 115.42 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.731 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.881 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 11.0 tp10 -121.6 110.49 16.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.247 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' A' 1597 ' ' ARG . 13.4 t80 -60.4 124.41 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.427 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.427 ' CH2' ' HB3' ' A' 1646 ' ' LEU . 7.3 t-105 -101.02 108.84 56.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.7 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.655 ' HB2' HD22 ' A' 1643 ' ' LEU . 46.5 Cg_exo -56.28 127.8 27.52 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.562 2.174 . . . . 0.0 112.33 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -94.77 -23.36 17.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.774 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 3.5 p30 -86.16 129.61 34.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.009 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.446 ' HA ' ' HB3' ' A' 1640 ' ' GLN . 68.7 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.899 ' HA ' HD23 ' A' 1643 ' ' LEU . 20.4 pt20 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.936 0.398 . . . . 0.0 111.587 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -101.44 -23.3 14.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.474 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 56.2 t80 -92.81 -20.23 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.029 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.899 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -73.48 -12.61 60.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -82.27 -23.06 35.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -92.05 -10.78 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.745 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.593 HD21 HH12 ' A' 1530 ' ' ARG . 85.8 mt -93.52 -24.45 17.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.06 -25.05 61.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -76.18 -35.3 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.458 ' O ' HG21 ' A' 1653 ' ' ILE . 88.8 t80 -85.72 -22.79 27.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.7 89.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.97 -33.0 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.692 ' HA ' HD22 ' A' 1656 ' ' ASN . 15.4 t70 -50.99 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.414 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.736 HD11 ' HE2' ' A' 1531 ' ' LYS . 7.0 tp -57.34 -32.11 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.374 . . . . 0.0 111.329 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1654 ' ' PHE . . . . . 0.546 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 16.2 t80 -68.82 -30.86 69.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.436 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.546 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 93.8 mt -101.98 -75.05 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.44 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.692 HD22 ' HA ' ' A' 1652 ' ' ASP . 1.7 p30 -77.66 -59.61 2.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.525 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.681 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 68.26 105.35 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.546 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1658 ' ' CYS . . . . . 0.608 ' H ' ' HZ2' ' A' 1531 ' ' LYS . 34.7 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.154 -0.927 . . . . 0.0 111.223 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.724 0.297 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.514 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 50.4 t 58.98 104.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.749 ' HA3' ' HB1' ' A' 1591 ' ' ALA . . . 97.26 -60.24 1.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.919 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 54.97 97.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.763 0.316 . . . . 0.0 111.389 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.677 ' HE2' HG23 ' A' 1627 ' ' ILE . 62.0 mtt -102.17 156.08 17.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1518 ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' 1628 ' ' GLU . 11.5 pt20 -86.09 -175.29 5.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.459 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 47.1 mt-10 -69.82 -170.36 0.32 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.16 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -133.08 130.58 39.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.344 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 30.6 mt 59.74 17.14 6.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.698 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.654 ' HB3' HG23 ' A' 1524 ' ' THR . 1.6 m-20 -84.84 108.15 17.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.696 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.512 HD22 ' HD1' ' A' 1642 ' ' PHE . 27.3 mt -75.33 5.24 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.967 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1524 ' ' THR . . . . . 0.654 HG23 ' HB3' ' A' 1522 ' ' ASP . 6.7 t -60.71 -24.52 65.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.201 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 69.1 mt -89.87 130.87 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 46.2 t -91.05 167.37 12.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -70.75 -20.94 62.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.4 mt-10 -90.4 -40.09 12.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 59.9 m -58.88 -37.39 76.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.479 HH12 HD21 ' A' 1646 ' ' LEU . 42.1 ttm180 -72.41 -34.5 67.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.736 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.695 ' HD2' ' HB2' ' A' 1534 ' ' ALA . 23.2 tptm -67.35 -27.21 66.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.1 mm-40 -57.43 -20.68 31.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.057 0.456 . . . . 0.0 110.463 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.696 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 89.7 m -90.71 -30.31 17.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.817 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.695 ' HB2' ' HD2' ' A' 1531 ' ' LYS . . . -72.77 1.53 8.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.527 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1535 ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 19.2 t -123.79 7.61 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.696 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.7 mtmt -86.81 147.53 43.6 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.051 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.96 -30.01 89.09 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.699 2.266 . . . . 0.0 112.186 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.06 -12.27 61.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.521 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' 1603 ' ' GLY . 14.7 mm -115.43 115.22 48.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.152 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.422 ' O ' ' HE3' ' A' 1568 ' ' LYS . . . -92.02 -54.32 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.499 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.501 ' HE1' HG23 ' A' 1601 ' ' ILE . 2.7 p90 -112.21 162.93 14.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.317 0.58 . . . . 0.0 112.066 -178.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' 1568 ' ' LYS . . . -153.05 98.71 2.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.725 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.621 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.7 OUTLIER -142.83 -179.27 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.282 0.563 . . . . 0.0 112.45 -178.568 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.509 ' HG2' HD13 ' A' 1564 ' ' LEU . 30.2 ttpt -113.31 125.75 54.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.444 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.698 HG11 HD12 ' A' 1580 ' ' ILE . 19.2 m -118.15 -178.93 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.911 0.386 . . . . 0.0 111.656 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.497 ' HB3' HD11 ' A' 1564 ' ' LEU . 81.8 p -149.71 113.64 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.865 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.804 HD13 ' HB3' ' A' 1561 ' ' ALA . 48.5 mm -55.64 119.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.905 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 3.6 t -115.92 -20.42 9.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.466 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.56 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 39.5 t -147.28 153.55 39.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.009 0.433 . . . . 0.0 111.253 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' 1595 ' ' LYS . 83.9 mt -146.52 140.27 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1551 ' ' THR . . . . . 0.666 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 78.3 m -141.76 127.48 19.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.002 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.582 ' HA ' HG12 ' A' 1557 ' ' VAL . 93.3 t -108.18 126.33 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1553 ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' 1556 ' ' PHE . 13.4 mm-40 -106.46 -166.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.33 -72.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 97.0 t -97.76 -44.99 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.401 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.487 ' O ' ' HB2' ' A' 1553 ' ' GLU . 80.4 m-85 -91.26 169.13 11.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.582 HG12 ' HA ' ' A' 1552 ' ' VAL . 21.3 t -137.53 122.74 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.666 ' HB2' ' HB ' ' A' 1551 ' ' THR . 72.4 mmtt -85.65 148.32 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.222 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.457 ' CE2' ' HE3' ' A' 1584 ' ' LYS . 67.1 m-85 -145.24 142.75 29.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.56 ' HB2' ' HB3' ' A' 1549 ' ' SER . 59.5 mttp -137.48 128.44 27.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.526 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.804 ' HB3' HD13 ' A' 1547 ' ' ILE . . . -137.35 142.41 41.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.66 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.0 m -84.51 124.39 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.993 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.606 HD13 ' HB2' ' A' 1543 ' ' TYR . 9.1 tp -66.78 97.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.55 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.509 HD13 ' HG2' ' A' 1544 ' ' LYS . 93.7 mt -54.09 -48.34 70.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.455 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.9 t70 -166.44 162.05 16.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.542 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.621 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 45.8 mt -109.92 136.65 45.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.019 0.437 . . . . 0.0 111.94 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.428 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 21.7 m-85 -112.88 -17.01 12.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.2 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.584 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 62.6 tttp -154.31 112.18 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.696 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 58.0 m -45.71 147.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.076 0.465 . . . . 0.0 112.029 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.708 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -104.73 133.85 11.74 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.326 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.53 -27.74 66.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.834 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.16 42.2 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 86.4 t 55.58 90.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.198 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.708 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -110.08 137.75 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.721 ' HG2' ' HB2' ' A' 1578 ' ' SER . 0.8 OUTLIER -144.66 146.58 32.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.496 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.469 ' HG3' ' HA ' ' A' 1565 ' ' ASP . 29.1 ttpp -54.75 148.29 13.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.562 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.9 p30 47.08 40.6 9.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.524 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.721 ' HB2' ' HG2' ' A' 1575 ' ' GLU . 24.8 t -83.4 -166.63 1.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.703 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -131.14 111.38 11.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.508 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.698 HD12 HG11 ' A' 1545 ' ' VAL . 6.3 pt -122.68 144.5 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.999 0.428 . . . . 0.0 111.574 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1581 ' ' THR . . . . . 0.451 HG23 ' O ' ' A' 1559 ' ' TYR . 86.4 m -123.1 123.93 41.95 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.357 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.505 ' HE1' HD11 ' A' 1580 ' ' ILE . 69.2 m-85 -112.63 146.77 38.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.55 HG23 ' HA ' ' A' 1558 ' ' LYS . 29.5 pt -139.73 150.49 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 111.145 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.719 ' HB3' HD22 ' A' 1621 ' ' LEU . 22.1 pttp -145.52 -173.95 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -98.56 -176.42 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.813 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.0 p -88.26 -25.4 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 73.9 p -70.32 -22.82 62.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.326 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.514 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.3 m -59.31 104.64 0.27 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.01 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 57.5 m -102.13 -31.7 10.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.576 ' N ' HD21 ' A' 1590 ' ' ASN . 0.8 OUTLIER -74.95 -19.52 60.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.749 ' HB1' ' HA3' ' A' 1515 ' ' GLY . . . -108.66 109.37 20.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -142.58 108.06 5.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.729 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.0 mt -83.52 164.73 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.019 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.406 HG13 ' CZ ' ' A' 1597 ' ' ARG . 85.7 t -132.46 133.18 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.614 ' HB2' HD12 ' A' 1550 ' ' ILE . 41.0 ttmt -62.74 136.4 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 61.1 68.68 1.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.502 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 39.6 ttm180 -162.59 152.55 16.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.561 ' HB2' ' HB3' ' A' 1630 ' ' TRP . 49.9 mt-30 -91.6 134.5 34.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.305 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.502 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 76.2 m-85 -138.5 144.93 40.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.055 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.724 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 59.8 tp -95.85 118.96 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.347 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.501 HG23 ' HE1' ' A' 1541 ' ' TYR . 80.1 mt -111.88 123.21 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.101 0.477 . . . . 0.0 111.783 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.709 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 79.8 mtp -137.04 107.58 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.105 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.502 ' N ' HG22 ' A' 1539 ' ' ILE . . . -170.15 178.4 42.96 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.159 -1.019 . . . . 0.0 113.265 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.574 ' C ' ' HD3' ' A' 1604 ' ' LYS . 0.0 OUTLIER -58.96 166.26 2.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.568 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.834 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.3 pt-20 -66.0 -168.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.363 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -82.91 -171.31 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 22.5 tp -131.66 20.2 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.975 0.417 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.19 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.752 0.31 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 34.8 pt -57.68 139.13 17.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.712 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -97.2 136.21 21.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.142 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.95 -14.52 44.01 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.6 2.2 . . . . 0.0 112.498 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' 1584 ' ' LYS . 60.9 tp 51.08 89.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.459 ' HB2' ' HG ' ' A' 1624 ' ' LEU . 9.8 m-20 -117.62 -172.77 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.3 p -66.0 -15.43 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' A' 1622 ' ' ASP . 1.4 pp -80.08 -4.09 51.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.4 m -88.67 105.72 17.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.709 ' HB3' ' HB2' ' A' 1602 ' ' MET . 45.4 t-105 -68.64 103.05 1.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.739 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.677 HG23 ' HE2' ' A' 1517 ' ' MET . 66.9 mt -110.39 122.28 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.724 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 42.0 tt0 -122.64 147.82 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.52 ' O ' ' HD3' ' A' 1631 ' ' PRO . 20.0 t80 -84.35 124.7 31.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.453 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.561 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 5.0 t-105 -105.36 95.9 10.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.55 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.736 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.6 Cg_exo -55.66 113.81 1.59 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.707 2.271 . . . . 0.0 112.462 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -73.08 -30.51 63.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.787 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.11 129.99 40.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 77.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.77 ' HA ' HD22 ' A' 1643 ' ' LEU . 28.8 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -56.1 -29.69 60.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.512 ' HD1' HD22 ' A' 1523 ' ' LEU . 68.7 t80 -75.78 -30.99 59.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.75 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.77 HD22 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -78.51 -6.35 55.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.72 -40.88 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.07 -1.27 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.491 HD11 ' HA ' ' A' 1643 ' ' LEU . 93.7 mt -95.14 -35.26 11.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.709 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.61 -34.82 78.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.69 -39.86 88.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' 1653 ' ' ILE . 89.9 t80 -63.24 -28.61 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -56.1 -60.76 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -24.25 58.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.13 -6.77 9.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.269 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.481 HG13 ' HE3' ' A' 1531 ' ' LYS . 20.2 tt -133.03 -25.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.988 0.423 . . . . 0.0 110.899 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.02 -34.61 61.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.836 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' 1655 ' ' LEU . 4.8 tt -80.94 -48.82 11.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.933 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.492 ' H ' ' ND2' ' A' 1656 ' ' ASN . 0.7 OUTLIER -99.88 -68.06 0.82 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.721 -179.207 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 71.55 100.97 0.06 OUTLIER Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.344 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1658 ' ' CYS . . . . . 0.529 ' H ' ' HZ1' ' A' 1531 ' ' LYS . 41.6 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.925 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.737 ' HA ' HD21 ' A' 1590 ' ' ASN . 4.6 p-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.614 0.245 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' 1591 ' ' ALA . 29.0 t -50.4 107.63 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.9 0.381 . . . . 0.0 110.351 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 80.97 40.9 11.02 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.744 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -41.64 103.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.32 -0.44 . . . . 0.0 111.229 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.429 ' HG3' ' O ' ' A' 1515 ' ' GLY . 64.4 mtt -93.91 124.83 38.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.07 169.95 6.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -68.8 168.44 13.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.067 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -108.09 130.99 55.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 98.1 mt 55.72 87.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -148.17 102.56 3.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' 1642 ' ' PHE . 97.6 mt -70.69 97.42 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1524 ' ' THR . . . . . 0.5 HG21 HG13 ' A' 1525 ' ' ILE . 6.8 t -167.44 -23.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.5 HG13 HG21 ' A' 1524 ' ' THR . 52.8 mt -97.79 105.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 83.0 p -63.6 164.48 9.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1527 ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' 1649 ' ' PHE . . . -70.86 -8.85 55.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.1 mt-10 -94.91 -31.37 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 69.2 m -62.52 -33.86 75.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' 1530 ' ' ARG . 61.0 mtt180 -83.61 -40.35 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1531 ' ' LYS . . . . . . . . . . . . . 63.9 tttm -59.57 -45.86 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' 1528 ' ' GLU . 79.9 mt-30 -58.14 -24.14 57.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.015 0.436 . . . . 0.0 110.186 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.77 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 60.5 m -86.24 -26.89 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.419 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.463 ' HB2' ' HE3' ' A' 1602 ' ' MET . . . -63.52 -46.12 87.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.959 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 36.9 t -91.22 3.05 55.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.77 ' HE3' ' HA ' ' A' 1533 ' ' THR . 40.6 ttmt -58.26 140.92 83.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.758 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.51 -20.12 32.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.559 2.173 . . . . 0.0 112.227 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.467 ' H ' ' HG2' ' A' 1536 ' ' LYS . 38.9 tt0 -85.11 -23.84 28.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.699 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.86 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -104.79 115.17 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.33 -47.18 18.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.84 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.7 p90 -125.46 155.77 39.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.158 0.504 . . . . 0.0 111.716 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' 1568 ' ' LYS . . . -143.62 97.96 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.39 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.714 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.5 p90 -149.53 170.11 19.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.051 0.453 . . . . 0.0 111.798 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' 1564 ' ' LEU . 86.3 tttt -104.78 140.77 37.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.457 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.748 HG13 ' HA ' ' A' 1563 ' ' LEU . 24.3 m -137.05 -178.75 2.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.054 0.454 . . . . 0.0 111.628 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 21.0 t -149.28 127.19 11.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.622 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.26 139.72 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1548 ' ' THR . . . . . 0.459 ' O ' ' HE2' ' A' 1595 ' ' LYS . 68.2 p -131.04 -25.77 2.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.598 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.725 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 38.2 t -150.22 156.24 41.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 0.0 111.332 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 79.9 mt -141.65 111.85 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1551 ' ' THR . . . . . 0.841 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 93.1 m -92.04 123.49 35.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 5.2 p -102.11 132.98 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1553 ' ' GLU . . . . . 0.623 ' HG3' ' H ' ' A' 1554 ' ' ASN . 7.3 tp10 -124.38 177.61 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1554 ' ' ASN . . . . . 0.623 ' H ' ' HG3' ' A' 1553 ' ' GLU . 5.5 p30 -49.53 -45.61 47.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.358 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.435 HG22 ' OD1' ' A' 1554 ' ' ASN . 54.8 t -129.92 -53.05 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 111.19 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -72.35 162.05 30.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.3 t -138.61 106.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.841 ' HB2' ' HB ' ' A' 1551 ' ' THR . 11.5 mptt -79.23 149.16 31.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.577 ' HE2' ' HB3' ' A' 1584 ' ' LYS . 86.2 m-85 -131.1 114.48 15.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.02 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.725 ' HB2' ' HB3' ' A' 1549 ' ' SER . 14.1 mmmm -99.92 109.64 22.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.369 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -125.08 157.9 35.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.0 0.429 . . . . 0.0 111.449 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -105.99 134.32 49.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.018 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.748 ' HA ' HG13 ' A' 1545 ' ' VAL . 5.9 tt -66.11 143.05 57.55 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' 1563 ' ' LEU . 7.5 mp -101.4 -48.65 4.29 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.646 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.478 ' N ' HD22 ' A' 1563 ' ' LEU . 15.5 t70 -166.54 134.11 2.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.512 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.714 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 69.1 mt -91.56 128.25 43.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.095 0.474 . . . . 0.0 112.108 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.697 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 69.8 m-85 -109.12 -15.17 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.187 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 28.4 tptp -153.47 120.13 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.69 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1569 ' ' THR . . . . . 0.483 HG23 ' H ' ' A' 1571 ' ' GLU . 4.0 m -48.61 157.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.048 0.451 . . . . 0.0 111.829 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.84 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -99.79 3.83 57.55 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.867 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' 1570 ' ' GLY . 44.4 mt-10 74.5 -43.84 0.54 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.474 0.31 . . . . 0.0 110.969 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -87.4 46.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 0.0 110.23 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 81.5 t 59.51 85.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.059 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.528 ' HB2' HD13 ' A' 1566 ' ' ILE . . . -90.62 139.82 30.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.428 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' A' 1578 ' ' SER . 40.9 mt-10 -131.28 142.46 50.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.805 0.336 . . . . 0.0 111.384 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 60.6 mttp -58.4 139.51 55.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.089 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.736 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.7 p30 46.55 34.48 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.339 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 57.2 p -68.14 -166.99 0.07 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.739 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -115.29 109.2 17.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.574 ' HB ' ' HE2' ' A' 1619 ' ' TYR . 37.6 pt -110.03 139.97 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.618 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 76.7 m -132.47 113.8 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.978 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.736 ' HB3' ' HB2' ' A' 1619 ' ' TYR . 1.7 p90 -123.5 131.86 53.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.742 HG23 ' HG3' ' A' 1558 ' ' LYS . 32.1 pt -100.04 163.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.24 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.82 ' HB2' HD22 ' A' 1621 ' ' LEU . 39.8 ttpt -153.5 140.79 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -79.44 158.03 27.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.8 p -72.86 -11.56 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 81.7 p -69.48 -34.86 74.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.8 m -60.12 111.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.697 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 87.1 m -97.94 -42.78 7.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.48 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.737 HD21 ' HA ' ' A' 1513 ' ' ASP . 89.7 m-20 -70.07 -3.84 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.231 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' 1514 ' ' CYS . . . -108.55 119.17 38.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.073 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -141.4 109.02 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 91.5 mt -97.23 149.02 22.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.667 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 59.8 t -123.53 139.98 48.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.459 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.3 tttm -79.93 115.45 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 112.85 -8.45 25.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.773 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.667 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 84.8 mtt180 -92.51 176.1 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 111.41 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -122.41 132.54 54.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.444 ' HH ' ' H ' ' A' 1594 ' ' VAL . 78.1 m-85 -134.26 148.24 50.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.015 0.436 . . . . 0.0 111.364 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 58.3 tp -97.77 123.9 41.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.019 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.556 HG23 ' HE1' ' A' 1541 ' ' TYR . 63.0 mt -112.67 125.31 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.132 0.492 . . . . 0.0 111.918 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.463 ' HE3' ' HB2' ' A' 1534 ' ' ALA . 77.0 mtp -142.61 107.39 4.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.2 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.86 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.54 -168.12 37.36 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.14 -1.029 . . . . 0.0 113.42 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' 1538 ' ' GLU . 71.7 mmtt -50.56 162.03 0.28 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.905 0.383 . . . . 0.0 111.465 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.443 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 12.0 pt-20 -78.15 -172.75 2.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.024 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.478 ' HB3' ' CE1' ' A' 1619 ' ' TYR . . . -84.82 -172.21 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 91.1 mt -121.66 129.66 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.471 ' HG2' ' HE1' ' A' 1617 ' ' TYR . 42.0 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.471 ' HE1' ' HG2' ' A' 1608 ' ' GLN . 14.8 m-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.806 0.336 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 26.6 pt -124.33 130.67 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.736 ' HB2' ' HB3' ' A' 1582 ' ' PHE . 9.6 m-85 -79.06 133.43 61.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.014 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.41 -24.85 11.8 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.64 2.226 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.82 HD22 ' HB2' ' A' 1584 ' ' LYS . 48.9 tp 51.5 82.29 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.77 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 18.7 t70 -97.37 -78.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.7 p -162.88 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.7 pp -71.89 -27.82 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.482 ' O ' HG13 ' A' 1627 ' ' ILE . 61.6 m -57.73 99.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -60.93 108.24 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.829 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' 1625 ' ' THR . 71.4 mt -110.97 123.48 66.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -137.17 112.77 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.454 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 67.3 t80 -55.57 139.16 45.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.403 ' HA ' ' HD2' ' A' 1631 ' ' PRO . 5.2 t-105 -103.52 98.56 12.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.605 ' HG2' HD23 ' A' 1643 ' ' LEU . 11.3 Cg_endo -54.79 127.76 27.54 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.832 2.355 . . . . 0.0 112.334 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -111.8 17.34 19.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.223 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -113.81 143.68 44.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.079 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.702 HG22 ' HA ' ' A' 1640 ' ' GLN . 25.0 p . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.793 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.702 ' HA ' HG22 ' A' 1634 ' ' THR . 9.4 tt0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.13 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.41 ' HA ' HD21 ' A' 1523 ' ' LEU . 79.0 t80 -73.56 -36.43 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' 1631 ' ' PRO . 41.6 mt -70.44 -29.21 65.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -65.35 -23.86 67.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.588 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.05 -19.97 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.496 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.461 HD12 HD21 ' A' 1643 ' ' LEU . 98.5 mt -82.05 -29.97 31.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.57 -29.38 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.524 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.14 -18.9 65.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.574 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.545 ' HB2' ' HB3' ' A' 1527 ' ' ALA . 64.7 t80 -101.2 -26.69 13.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.678 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -73.86 0.4 13.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.367 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -131.97 -24.77 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' 1656 ' ' ASN . 15.0 t70 -77.48 -30.06 52.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.061 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.582 HG22 ' HD2' ' A' 1567 ' ' TYR . 8.9 tp -67.95 -22.9 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.024 0.44 . . . . 0.0 110.691 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 20.9 t80 -100.76 -39.09 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.54 -52.01 17.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.362 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.671 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -86.92 -67.3 0.83 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.056 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 79.82 164.48 29.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.94 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.798 0.333 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.705 ' HB2' ' HA ' ' A' 1622 ' ' ASP . 0.1 OUTLIER -94.26 89.55 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.765 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 138.39 -53.51 0.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.33 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.415 ' HA ' ' ND2' ' A' 1590 ' ' ASN . 36.1 tt0 53.99 91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.776 0.322 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.468 ' H ' ' ND2' ' A' 1590 ' ' ASN . 78.6 mtp -62.45 136.33 57.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.776 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -81.35 167.38 19.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.627 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 45.9 mt-10 -62.45 159.25 15.9 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.56 -76.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.779 ' HG ' ' HB2' ' A' 1642 ' ' PHE . 4.9 mp -97.49 57.16 1.37 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.627 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 12.7 t70 -70.6 87.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.028 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 1521 ' ' LEU . 6.0 mt -88.99 22.42 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.179 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 77.2 p -94.63 -22.26 18.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.251 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.473 HG13 ' OD1' ' A' 1522 ' ' ASP . 92.9 mt -84.7 137.17 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 54.7 m -82.81 -173.71 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.801 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -99.34 1.23 44.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -123.04 -2.9 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 67.8 m -82.38 -47.98 11.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.066 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -95.11 -8.28 36.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.417 ' HG3' ' HE1' ' A' 1649 ' ' PHE . 54.9 tttm -64.87 -40.28 94.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -59.18 -17.09 24.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.578 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.612 ' HA ' ' HB2' ' A' 1536 ' ' LYS . 59.7 m -82.39 -33.65 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.837 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.583 ' HB2' ' HE3' ' A' 1602 ' ' MET . . . -61.53 -23.18 65.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.0 t -121.99 5.42 9.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.746 ' HB3' HD12 ' A' 1539 ' ' ILE . 39.6 ttmt -59.32 140.84 87.91 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.669 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.42 -32.1 71.35 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.596 2.197 . . . . 0.0 112.311 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.513 ' O ' ' HE2' ' A' 1604 ' ' LYS . 36.9 tt0 -74.67 -22.6 58.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.886 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.1 mp -101.79 122.65 54.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.448 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -84.51 -55.69 4.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.431 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.513 ' HE1' HG22 ' A' 1601 ' ' ILE . 6.6 p90 -112.78 158.33 20.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.309 0.576 . . . . 0.0 112.07 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.97 96.82 2.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.493 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.633 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 0.3 OUTLIER -146.6 -175.16 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 112.355 -178.627 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.484 ' HG2' HD13 ' A' 1564 ' ' LEU . 31.9 ttpt -118.26 126.7 52.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.708 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.765 HG12 ' HA ' ' A' 1563 ' ' LEU . 22.4 m -121.43 -174.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.26 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.644 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.9 t -156.06 114.63 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.575 HD13 ' HB1' ' A' 1561 ' ' ALA . 40.5 mm -59.62 143.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 4.0 t -148.62 -7.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.479 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.799 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 57.4 m -154.11 134.15 13.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.407 HG12 ' HD1' ' A' 1559 ' ' TYR . 73.6 mt -132.38 136.51 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 62.8 m -148.3 130.12 15.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.711 HG21 HG23 ' A' 1557 ' ' VAL . 7.6 p -109.34 141.08 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -103.03 -74.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -144.82 -77.01 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 31.6 t -93.42 -49.64 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -94.57 141.8 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.605 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.711 HG23 HG21 ' A' 1552 ' ' VAL . 41.1 t -110.11 128.32 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.234 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.431 ' HE2' HD11 ' A' 1583 ' ' ILE . 35.2 mmtp -90.26 143.96 26.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.446 ' HH ' ' NZ ' ' A' 1584 ' ' LYS . 90.3 m-85 -132.18 102.63 5.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.296 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.799 ' HB2' ' HB2' ' A' 1549 ' ' SER . 35.1 mmtp -79.29 116.73 19.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.233 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.575 ' HB1' HD13 ' A' 1547 ' ' ILE . . . -129.15 167.14 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.087 0.47 . . . . 0.0 111.651 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 20.5 m -116.07 123.4 47.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.735 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.765 ' HA ' HG12 ' A' 1545 ' ' VAL . 13.0 tp -68.26 98.77 0.84 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.535 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' 1546 ' ' SER . 87.1 mt -54.67 -61.36 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.319 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.566 ' O ' ' HB2' ' A' 1543 ' ' TYR . 7.4 m-20 -145.03 165.73 27.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.654 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.765 HG12 HD22 ' A' 1563 ' ' LEU . 55.6 mt -118.3 134.49 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.959 0.409 . . . . 0.0 111.936 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.633 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -113.23 -18.77 12.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.404 ' CB ' ' HB1' ' A' 1542 ' ' ALA . 6.9 tmtm? -156.59 110.32 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.5 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 24.6 m -43.3 148.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.175 0.512 . . . . 0.0 112.1 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.759 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -105.46 131.64 10.74 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.475 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.31 -26.82 68.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 110.573 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.822 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.14 42.73 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.473 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 80.4 t 58.9 88.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.428 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.759 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -116.94 120.71 39.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.25 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.561 ' HB3' ' HB3' ' A' 1578 ' ' SER . 9.7 tp10 -129.25 151.22 50.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.002 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.68 134.85 55.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.599 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.0 p30 46.0 36.73 3.18 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.394 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.561 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 76.8 p -80.18 -166.47 1.05 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.844 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.36 114.15 18.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.008 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.507 HD12 ' HE1' ' A' 1582 ' ' PHE . 1.7 pp -129.51 161.15 39.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.51 . . . . 0.0 111.939 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.4 m -127.91 130.21 48.12 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.507 ' HE1' HD12 ' A' 1580 ' ' ILE . 51.7 m-85 -112.94 116.7 30.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.543 HG21 ' HA ' ' A' 1620 ' ' PRO . 6.2 tt -94.04 107.82 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.233 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.686 ' HB2' HD12 ' A' 1621 ' ' LEU . 34.5 ttpt -92.45 153.15 19.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.416 ' N ' ' HG2' ' A' 1584 ' ' LYS . 67.5 mttm -89.39 149.56 22.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.5 p -79.79 -12.72 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 76.2 p -69.77 -32.79 71.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.5 m -56.2 106.57 0.29 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.771 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 9.7 t -87.48 12.65 11.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.469 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.468 ' ND2' ' H ' ' A' 1517 ' ' MET . 7.1 t30 -138.33 -40.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 111.175 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -65.01 110.11 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.153 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -142.92 101.74 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.89 166.92 18.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 93.9 t -130.34 132.0 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -72.26 131.56 42.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 76.4 52.05 6.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.515 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 40.3 ttm180 -155.59 149.31 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.614 ' HG2' HD11 ' A' 1564 ' ' LEU . 23.3 mt-30 -89.23 141.36 28.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.288 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.515 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 81.9 m-85 -142.82 164.33 30.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 61.6 tp -111.73 122.63 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.256 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.513 HG22 ' HE1' ' A' 1541 ' ' TYR . 74.4 mt -118.12 130.25 73.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 111.721 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.583 ' HE3' ' HB2' ' A' 1534 ' ' ALA . 59.0 mtp -145.38 106.87 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.169 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.886 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -173.99 -178.29 43.8 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.396 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.513 ' HE2' ' O ' ' A' 1538 ' ' GLU . 17.8 tppt? -61.14 161.75 8.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 111.022 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.822 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.1 pt-20 -67.46 -170.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.051 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.533 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -94.56 176.99 6.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.473 ' N ' HD13 ' A' 1607 ' ' LEU . 6.9 mp -109.09 96.54 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.574 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.484 HE21 ' HE2' ' A' 1617 ' ' TYR . 81.8 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.484 ' HE2' HE21 ' A' 1608 ' ' GLN . 37.3 m-85 . . . . . 0 CA--C 1.523 -0.06 0 CA-C-O 120.764 0.316 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 17.9 pt 35.58 98.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.435 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.533 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 18.7 m-85 -61.19 119.72 48.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.953 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1620 ' ' PRO . . . . . 0.543 ' HA ' HG21 ' A' 1583 ' ' ILE . 73.6 Cg_endo -74.49 123.66 8.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.505 2.137 . . . . 0.0 112.186 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' 1584 ' ' LYS . 96.2 mt -89.38 107.79 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.705 ' HA ' ' HB2' ' A' 1514 ' ' CYS . 9.3 p-10 -129.73 -160.99 1.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.0 p -76.4 7.63 4.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.696 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.478 ' HB3' ' OD2' ' A' 1622 ' ' ASP . 0.2 OUTLIER -105.2 -31.46 9.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.347 . . . . 0.0 110.636 179.84 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 61.8 m -68.9 109.89 4.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.426 ' HB3' ' HB2' ' A' 1602 ' ' MET . 58.0 t-105 -71.26 114.9 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.4 mt -117.84 133.82 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.597 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -141.4 119.31 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.98 128.07 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.231 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -102.86 102.32 26.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.122 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.689 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 71.6 Cg_exo -48.31 98.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.601 2.201 . . . . 0.0 112.604 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -76.01 -13.04 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.71 134.47 34.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.404 ' HB ' ' CD1' ' A' 1643 ' ' LEU . 4.4 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.774 0.321 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.39 82.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.585 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.779 ' HB2' ' HG ' ' A' 1521 ' ' LEU . 47.8 t80 -91.2 -45.26 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.412 HD22 ' O ' ' A' 1631 ' ' PRO . 74.9 mt -53.32 -44.85 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.112 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -56.28 -54.79 41.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.946 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.23 -12.47 61.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 0.0 110.365 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 56.1 tp -90.36 -22.17 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.819 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -67.8 -34.81 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.54 -23.93 53.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.49 ' O ' HG21 ' A' 1653 ' ' ILE . 86.1 t80 -109.54 -23.29 11.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.665 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -67.71 -33.81 75.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.24 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -101.17 -10.38 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.982 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.529 ' HA ' HD21 ' A' 1656 ' ' ASN . 15.1 t70 -76.56 -69.3 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' 1649 ' ' PHE . 8.8 tp -58.9 -23.51 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 65.8 t80 -75.41 -53.19 9.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 5.7 tt -83.18 -65.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.529 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.529 HD21 ' HA ' ' A' 1652 ' ' ASP . 23.8 m-80 -58.6 -65.93 0.58 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.434 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 86.13 -179.0 49.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.853 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.535 0.207 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.457 ' O ' ' HB1' ' A' 1591 ' ' ALA . 13.8 t -51.11 107.91 0.21 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.902 0.382 . . . . 0.0 110.318 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 98.69 -45.41 1.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.664 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 51.69 94.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.411 -0.395 . . . . 0.0 111.336 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 26.5 mmt -85.82 132.86 34.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -81.86 162.79 22.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -70.32 -178.42 1.7 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.55 130.5 56.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 97.0 mt 58.91 20.2 7.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.35 109.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.774 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 87.4 mt -87.93 99.23 11.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 5.4 t -171.01 -38.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.439 HD12 ' HE ' ' A' 1530 ' ' ARG . 4.9 pt -91.43 133.4 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.2 p -91.99 -177.28 4.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -76.71 -9.22 58.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.5 mt-10 -93.56 -34.65 13.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 33.4 m -61.76 -21.29 64.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.439 ' HE ' HD12 ' A' 1525 ' ' ILE . 56.5 mtt180 -95.57 -37.71 10.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.043 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.521 ' HE2' HD11 ' A' 1653 ' ' ILE . 25.6 tptp -67.38 -39.42 85.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' 1528 ' ' GLU . 50.2 mt-30 -57.02 -17.67 10.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.972 0.415 . . . . 0.0 110.553 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.839 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 87.2 m -90.51 -39.76 12.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.723 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.594 ' HB1' ' HE1' ' A' 1602 ' ' MET . . . -59.84 -39.99 86.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.29 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1535 ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 41.2 t -64.54 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.047 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.839 ' HE3' ' HA ' ' A' 1533 ' ' THR . 10.3 mtmp? -66.23 149.51 97.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.25 -22.0 54.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.487 2.125 . . . . 0.0 112.183 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.88 -26.63 68.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.794 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.622 HG13 HG21 ' A' 1533 ' ' THR . 26.3 mm -101.55 96.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -70.75 -48.63 53.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.583 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.3 p90 -122.1 155.78 34.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.162 0.506 . . . . 0.0 111.415 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.537 ' N ' ' HB3' ' A' 1568 ' ' LYS . . . -145.74 98.7 3.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.918 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.616 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.6 p90 -146.82 176.54 9.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.441 . . . . 0.0 111.646 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.547 ' HZ3' HD12 ' A' 1564 ' ' LEU . 12.2 ptmm? -118.2 147.48 43.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.051 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.813 HG12 ' HA ' ' A' 1563 ' ' LEU . 8.5 m -140.0 -178.81 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.061 0.458 . . . . 0.0 111.724 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.416 ' HB2' HD13 ' A' 1564 ' ' LEU . 22.7 t -143.21 116.81 9.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.566 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 35.3 mm -60.04 142.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 65.9 p -126.8 -37.22 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.465 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 73.3 m -147.1 154.35 41.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.036 0.446 . . . . 0.0 111.369 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.2 mt -130.54 106.21 12.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.775 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 59.6 m -98.48 145.67 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 10.9 p -140.02 140.71 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.82 -74.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -144.97 -57.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 84.8 t -112.82 -59.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.401 ' HE1' ' HZ1' ' A' 1585 ' ' LYS . 89.7 m-85 -74.5 122.95 23.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.5 t -98.71 121.57 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.618 ' HZ3' HD11 ' A' 1583 ' ' ILE . 75.5 mmtt -90.61 153.25 20.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.742 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 97.6 m-85 -137.53 103.03 4.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.773 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -82.82 109.8 17.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -131.53 161.95 31.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.399 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.4 m -108.62 131.15 55.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.813 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.9 tp -70.11 105.66 2.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.212 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.602 ' H ' ' HA ' ' A' 1545 ' ' VAL . 84.0 mt -59.12 -61.39 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 111.246 -179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.582 ' O ' ' HB2' ' A' 1543 ' ' TYR . 9.2 m-20 -151.87 159.76 43.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.723 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.616 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 42.5 mt -112.59 134.88 53.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 120.987 0.422 . . . . 0.0 111.925 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.502 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 44.8 m-85 -113.29 -22.75 10.28 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.537 ' HB3' ' N ' ' A' 1542 ' ' ALA . 20.3 ttmm -144.62 109.64 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.517 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 52.2 m -46.49 143.9 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.067 0.46 . . . . 0.0 111.861 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.761 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -96.77 125.68 8.55 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.452 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -58.05 -25.0 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.563 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -92.3 42.05 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.476 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 76.4 t 60.35 95.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.447 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.761 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -126.21 128.16 46.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.477 ' O ' HD23 ' A' 1563 ' ' LEU . 45.4 mt-10 -133.51 153.03 51.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.033 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 61.8 tttm -57.32 123.33 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.636 ' HA ' ' O ' ' A' 1563 ' ' LEU . 21.4 t70 62.05 59.17 1.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.578 ' H ' ' HB3' ' A' 1563 ' ' LEU . 72.6 m -106.57 -179.43 3.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.498 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -103.28 129.49 50.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.591 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.442 HG22 ' CE1' ' A' 1619 ' ' TYR . 9.2 pt -135.72 144.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.403 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 23.2 m -124.08 106.93 10.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.742 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 56.0 m-85 -80.49 128.03 33.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.017 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.824 HG21 ' HA ' ' A' 1620 ' ' PRO . 3.5 tt -111.46 111.0 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.741 ' HB2' HD11 ' A' 1621 ' ' LEU . 1.5 tmmt? -115.26 126.24 54.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.858 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.401 ' HZ1' ' HE1' ' A' 1556 ' ' PHE . 66.9 mttm -68.2 141.62 55.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.5 p -58.69 -18.16 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.7 p -69.45 -34.84 75.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.726 ' HB2' ' HD3' ' A' 1584 ' ' LYS . 3.7 m -58.92 105.65 0.34 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 91.2 m -84.03 -41.51 17.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.376 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -81.93 19.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.209 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' 1514 ' ' CYS . . . -125.93 113.04 16.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -152.83 100.92 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.81 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.501 HD11 ' N ' ' A' 1593 ' ' LEU . 4.2 mp -92.02 155.24 18.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.433 HG13 ' HD3' ' A' 1597 ' ' ARG . 6.0 p -138.17 137.4 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.456 ' HA ' ' HB ' ' A' 1547 ' ' ILE . 21.6 ptmt -68.05 156.33 37.6 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 89.56 -1.02 81.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.696 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.45 ' CZ ' ' HH ' ' A' 1599 ' ' TYR . 27.5 mtp180 -122.27 165.35 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 111.263 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.432 ' HG3' ' HD2' ' A' 1632 ' ' ARG . 26.8 mt-30 -112.98 145.45 40.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.989 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.45 ' HH ' ' CZ ' ' A' 1597 ' ' ARG . 87.3 m-85 -139.96 150.64 44.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.916 0.389 . . . . 0.0 111.468 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' 1543 ' ' TYR . 58.6 tp -98.86 131.26 45.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.125 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.521 HD11 ' N ' ' A' 1601 ' ' ILE . 3.7 mp -118.72 132.93 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.075 0.464 . . . . 0.0 111.919 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.594 ' HE1' ' HB1' ' A' 1534 ' ' ALA . 74.4 mtp -147.55 111.24 5.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.127 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.562 ' N ' HG22 ' A' 1539 ' ' ILE . . . 177.44 -171.71 44.45 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 119.772 -1.204 . . . . 0.0 113.781 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -51.6 156.73 1.26 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.862 0.363 . . . . 0.0 111.383 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.558 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.0 pt-20 -65.39 162.69 17.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.848 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.5 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -64.81 148.21 51.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.6 -173.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.689 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.517 ' HG3' ' CE1' ' A' 1617 ' ' TYR . 33.3 tt0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.517 ' CE1' ' HG3' ' A' 1608 ' ' GLN . 2.6 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' 1606 ' ' ALA . 36.1 pt -117.7 161.34 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.225 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 13.8 m-85 -110.9 109.54 57.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1620 ' ' PRO . . . . . 0.824 ' HA ' HG21 ' A' 1583 ' ' ILE . 65.1 Cg_endo -72.35 178.94 5.52 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' 1584 ' ' LYS . 96.3 mt -143.34 97.79 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.774 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.804 ' HB2' HD13 ' A' 1624 ' ' LEU . 12.0 m-20 -120.87 -162.86 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.6 p -80.69 3.71 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.673 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.804 HD13 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -103.55 -11.87 17.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.617 ' N ' HD12 ' A' 1624 ' ' LEU . 68.6 m -85.94 134.18 33.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.503 ' HB3' ' HB2' ' A' 1602 ' ' MET . 68.4 t-105 -98.56 113.99 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.799 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.633 HD12 HD23 ' A' 1621 ' ' LEU . 70.4 mt -122.29 111.6 31.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.01 115.4 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.564 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.446 ' O ' ' HD3' ' A' 1631 ' ' PRO . 91.1 t80 -53.63 136.56 38.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.182 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -102.3 100.67 16.21 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.283 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.523 ' HB2' HD12 ' A' 1643 ' ' LEU . 77.6 Cg_exo -48.27 121.68 6.5 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.687 2.258 . . . . 0.0 112.427 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1632 ' ' ARG . . . . . 0.432 ' HD2' ' HG3' ' A' 1598 ' ' GLN . 80.2 mtp180 -95.44 21.86 7.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.172 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -124.55 131.29 53.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 111.214 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.481 HG22 HD11 ' A' 1643 ' ' LEU . 69.8 p . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.937 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.421 ' OE1' ' HB ' ' A' 1634 ' ' THR . 28.8 mt-30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.839 0.352 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -64.42 -22.31 66.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.028 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 68.7 t80 -98.08 -30.45 12.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' 1631 ' ' PRO . 92.7 mt -88.93 8.8 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -90.62 -28.98 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.634 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -82.18 -34.44 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.537 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.421 HD12 HD21 ' A' 1643 ' ' LEU . 96.8 mt -62.8 -32.05 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.43 -44.78 95.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.465 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.63 -38.82 80.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.498 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.425 ' O ' HG22 ' A' 1653 ' ' ILE . 85.4 t80 -63.7 -29.41 70.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.655 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.22 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -70.07 -15.99 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.115 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.627 ' HA ' HD22 ' A' 1656 ' ' ASN . 11.9 t70 -65.11 -71.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.796 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.535 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 4.9 tp -60.05 -30.67 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.12 -34.59 78.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.6 tt -109.36 -77.42 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.018 0.437 . . . . 0.0 110.967 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.627 HD22 ' HA ' ' A' 1652 ' ' ASP . 5.1 p30 -81.48 37.75 0.47 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.322 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -56.27 118.1 10.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.573 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1658 ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 42.7 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.697 ' HB2' ' HG2' ' A' 1516 ' ' GLN . 3.9 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.111 0.481 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.746 ' H ' ' H ' ' A' 1589 ' ' THR . 3.9 m -81.47 -18.04 46.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.007 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . -124.37 -42.83 0.34 Allowed Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.388 -0.824 . . . . 0.0 113.202 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.86 ' H ' ' HA ' ' A' 1589 ' ' THR . 47.7 mt-30 66.72 153.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.915 0.388 . . . . 0.0 111.095 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.678 ' HE3' HG23 ' A' 1627 ' ' ILE . 9.2 mmt -73.21 -176.72 2.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.034 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -108.25 170.54 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.63 132.21 51.59 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.98 116.1 28.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 93.0 mt 59.48 97.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 9.9 t70 -160.34 112.2 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.683 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.05 99.69 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1524 ' ' THR . . . . . 0.443 HG21 HG13 ' A' 1525 ' ' ILE . 9.0 t -175.07 -29.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.009 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.443 HG13 HG21 ' A' 1524 ' ' THR . 59.6 mt -89.05 106.5 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.03 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 50.7 m -76.35 -178.92 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.71 -26.21 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.2 mt-10 -94.09 -22.62 18.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.5 m -57.69 -59.87 4.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.578 HH12 ' HG2' ' A' 1628 ' ' GLU . 16.5 ptp180 -71.19 -24.43 62.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.568 ' HD2' ' HB1' ' A' 1534 ' ' ALA . 23.9 tptm -63.73 -24.83 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.785 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.5 mm-40 -55.49 -24.8 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.297 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.683 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 94.8 m -83.14 -41.35 18.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.809 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' 1531 ' ' LYS . . . -69.66 -15.09 63.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 1.7 m -87.29 -19.7 27.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.0 mtmt -63.43 145.27 97.3 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.29 -1.49 9.72 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.612 2.208 . . . . 0.0 112.381 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' 1604 ' ' LYS . 11.4 pt-20 -87.35 -36.98 17.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.64 HD13 ' HA2' ' A' 1603 ' ' GLY . 43.6 mm -78.85 124.36 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.434 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -92.81 -64.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.593 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.444 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 2.1 p90 -100.08 163.48 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.294 0.569 . . . . 0.0 112.044 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.83 97.6 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.725 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.549 ' HA ' ' HD1' ' A' 1567 ' ' TYR . 7.1 p90 -142.08 178.71 7.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.064 0.459 . . . . 0.0 111.751 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -124.18 124.84 43.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.163 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.746 HG13 ' HA ' ' A' 1563 ' ' LEU . 8.9 m -119.27 -174.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.0 0.429 . . . . 0.0 111.729 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.423 ' CB ' HD11 ' A' 1564 ' ' LEU . 16.1 t -144.84 125.95 14.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.558 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.517 HG13 ' HB3' ' A' 1593 ' ' LEU . 42.4 mm -64.38 148.29 11.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1548 ' ' THR . . . . . 0.488 ' HG1' ' HA ' ' A' 1561 ' ' ALA . 73.6 p -135.31 -50.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.56 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.786 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 33.6 t -127.85 165.55 19.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.989 0.423 . . . . 0.0 111.329 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.8 mt -132.24 131.44 60.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 68.4 m -119.61 126.81 52.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.301 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.664 HG21 HG22 ' A' 1557 ' ' VAL . 9.6 p -139.33 138.86 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.33 -71.23 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.003 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1554 ' ' ASN . . . . . 0.408 ' OD1' HG22 ' A' 1555 ' ' VAL . 5.4 p30 -149.6 -52.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.408 HG22 ' OD1' ' A' 1554 ' ' ASN . 91.4 t -118.05 -55.38 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -77.07 113.46 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.664 HG22 HG21 ' A' 1552 ' ' VAL . 59.4 t -108.98 110.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.509 ' N ' ' HD3' ' A' 1558 ' ' LYS . 3.8 mppt? -97.59 166.27 11.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -140.52 122.18 15.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.786 ' HB3' ' HB3' ' A' 1549 ' ' SER . 16.4 tppt? -84.8 135.35 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.488 ' HA ' ' HG1' ' A' 1548 ' ' THR . . . -159.17 163.98 35.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 111.389 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.7 m -117.06 131.99 56.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.957 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.746 ' HA ' HG13 ' A' 1545 ' ' VAL . 14.6 tp -69.54 136.75 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.516 ' H ' HD13 ' A' 1563 ' ' LEU . 9.9 mp -93.44 -51.33 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.648 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.507 ' O ' HD11 ' A' 1563 ' ' LEU . 8.5 m-20 -148.67 153.56 38.44 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' 1543 ' ' TYR . 9.9 mm -105.98 117.73 52.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.569 ' HB3' HG23 ' A' 1653 ' ' ILE . 55.0 m-85 -97.94 -19.63 17.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.308 0.575 . . . . 0.0 109.706 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.434 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.7 tmtt? -155.03 109.92 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.389 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 30.0 m -44.35 142.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.156 0.503 . . . . 0.0 112.034 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.644 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -106.18 148.91 16.55 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.291 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.438 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 13.7 mm-40 -75.05 -0.3 18.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -114.35 67.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.833 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' 1573 ' ' VAL . 8.0 p 39.42 41.43 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.654 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.644 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -74.48 129.34 37.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.974 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.541 ' HB3' ' OG ' ' A' 1578 ' ' SER . 9.8 tp10 -151.1 147.06 26.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.546 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -55.39 131.85 46.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.638 ' HA ' ' O ' ' A' 1563 ' ' LEU . 15.3 t70 65.53 34.76 7.67 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.421 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.541 ' OG ' ' HB3' ' A' 1575 ' ' GLU . 34.1 m -92.61 -176.5 4.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.483 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.68 137.14 37.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.63 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.403 ' CG1' ' N ' ' A' 1581 ' ' THR . 0.9 OUTLIER -143.33 153.75 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.164 0.507 . . . . 0.0 111.411 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1581 ' ' THR . . . . . 0.403 ' N ' ' CG1' ' A' 1580 ' ' ILE . 61.5 m -152.74 118.61 5.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.924 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.416 ' HZ ' HG13 ' A' 1601 ' ' ILE . 89.8 m-85 -80.59 167.41 20.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.613 HG21 ' HA ' ' A' 1620 ' ' PRO . 5.0 tt -158.11 117.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.795 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.719 ' HE3' ' HA ' ' A' 1586 ' ' VAL . 39.3 ttpt -120.9 153.72 36.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.219 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.475 ' O ' HG13 ' A' 1586 ' ' VAL . 97.3 mttt -92.97 20.57 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.507 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1586 ' ' VAL . . . . . 0.719 ' HA ' ' HE3' ' A' 1584 ' ' LYS . 6.7 p 44.14 24.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.764 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 63.8 p -139.07 -3.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.338 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 1.2 m -133.53 141.71 47.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.959 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1589 ' ' THR . . . . . 0.86 ' HA ' ' H ' ' A' 1516 ' ' GLN . 73.8 m 50.34 93.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.614 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.667 ' HB2' ' HB3' ' A' 1513 ' ' ASP . 2.3 t-20 -61.92 85.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.282 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.648 ' HB2' HD21 ' A' 1621 ' ' LEU . . . -113.92 137.19 52.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.42 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -127.7 98.24 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.564 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.517 ' HB3' HG13 ' A' 1547 ' ' ILE . 85.0 mt -84.28 122.84 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 61.9 t -107.04 126.21 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 21.8 pttp -62.99 135.56 57.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 102.9 -18.52 49.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.628 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.506 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 91.2 mtt180 -99.65 169.96 8.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.004 0.431 . . . . 0.0 111.401 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -116.53 143.16 45.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.718 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -139.9 152.79 46.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.907 0.384 . . . . 0.0 111.214 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 61.3 tp -94.56 135.1 36.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.257 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.416 HG13 ' HZ ' ' A' 1582 ' ' PHE . 49.5 mm -128.89 124.87 61.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.961 0.41 . . . . 0.0 111.886 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1602 ' ' MET . . . . . . . . . . . . . 31.8 mtm -141.38 117.98 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.109 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.64 ' HA2' HD13 ' A' 1539 ' ' ILE . . . -170.72 177.12 43.97 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.272 -0.966 . . . . 0.0 113.142 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.55 ' HZ1' ' HG2' ' A' 1620 ' ' PRO . 0.0 OUTLIER -59.37 177.22 0.2 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.863 0.364 . . . . 0.0 111.489 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.3 pt-20 -60.15 173.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.424 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -103.18 155.84 18.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.244 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' 1617 ' ' TYR . 4.1 mm? -65.35 113.75 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.509 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.459 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 45.5 mt-30 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.443 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.571 ' HA ' ' O ' ' A' 1607 ' ' LEU . 1.9 m-30 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.57 0.224 . . . . 0.0 111.558 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 5.6 pt -56.82 145.05 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 111.145 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 20.3 m-85 -97.75 125.89 42.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.719 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1620 ' ' PRO . . . . . 0.613 ' HA ' HG21 ' A' 1583 ' ' ILE . 28.3 Cg_endo -62.24 -168.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.571 2.18 . . . . 0.0 112.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.672 HD22 ' HD3' ' A' 1584 ' ' LYS . 16.4 tp -153.48 40.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -92.66 -172.38 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1623 ' ' SER . . . . . 0.461 ' HB2' ' C ' ' A' 1514 ' ' CYS . 48.2 t -69.98 77.09 0.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.216 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 62.8 tp -175.24 -26.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.359 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 46.5 m -78.81 101.41 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.154 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -66.88 112.77 4.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.678 HG23 ' HE3' ' A' 1517 ' ' MET . 57.7 mt -119.83 135.03 61.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.646 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 10.4 tp10 -132.35 111.94 11.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.506 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 24.6 t80 -57.17 114.73 2.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -100.42 103.36 23.08 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.094 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.512 ' HB2' HD21 ' A' 1643 ' ' LEU . 80.4 Cg_exo -45.29 102.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.674 2.249 . . . . 0.0 112.59 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1632 ' ' ARG . . . . . 0.419 ' O ' ' HD3' ' A' 1632 ' ' ARG . 4.4 tmt_? -53.66 -42.17 67.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -89.27 110.7 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.743 HG23 HD12 ' A' 1643 ' ' LEU . 63.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.595 ' HA ' HD13 ' A' 1643 ' ' LEU . 28.2 mt-30 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.33 94.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.967 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -84.93 -23.01 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.532 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.743 HD12 HG23 ' A' 1634 ' ' THR . 47.8 mt -73.89 -11.73 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -80.45 -32.99 37.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.021 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.05 -25.31 55.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 85.8 mt -74.87 -31.34 61.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.5 -30.89 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.5 -47.65 69.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.765 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.426 ' O ' HG22 ' A' 1653 ' ' ILE . 81.6 t80 -55.55 -28.25 53.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.787 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.46 92.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -87.33 -7.24 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.023 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.732 ' HA ' HD21 ' A' 1656 ' ' ASN . 1.4 m-20 -84.59 -71.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.042 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.569 HG23 ' HB3' ' A' 1567 ' ' TYR . 8.9 tp -53.98 -25.66 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.189 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 76.8 t80 -78.84 -57.13 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' 1655 ' ' LEU . 3.2 tm? -84.01 -65.84 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.732 HD21 ' HA ' ' A' 1652 ' ' ASP . 34.2 m-80 -58.18 -74.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.217 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 87.36 -168.17 38.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.413 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.888 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.54 0.209 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' 1516 ' ' GLN . 7.4 t 60.13 -152.63 0.39 Allowed 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' A' 1517 ' ' MET . . . -55.8 83.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.774 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' 1514 ' ' CYS . 25.0 mt-30 -47.74 -25.21 1.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.368 0.267 . . . . 0.0 111.541 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.472 ' HE2' ' HB1' ' A' 1591 ' ' ALA . 22.8 mmt 59.05 -174.23 0.1 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.077 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1518 ' ' GLN . . . . . 0.427 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 11.8 pt20 -151.56 173.36 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.9 144.33 53.19 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.992 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.43 -16.77 64.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 68.5 mt -149.7 102.46 3.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.49 ' OD1' HG13 ' A' 1525 ' ' ILE . 11.2 t70 -129.47 122.63 29.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.672 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 42.2 mt -109.57 14.14 23.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.028 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 70.0 p -92.45 -20.06 21.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.49 HG13 ' OD1' ' A' 1522 ' ' ASP . 85.6 mt -83.87 138.18 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 43.9 t -85.67 169.45 13.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -75.8 -16.22 60.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -93.32 -19.64 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.2 m -74.41 -30.02 61.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.581 HH12 ' HA ' ' A' 1646 ' ' LEU . 4.7 ptm180 -95.08 -12.99 25.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.538 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.2 tmtp? -97.05 -33.36 11.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.806 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.64 -16.73 28.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.974 0.416 . . . . 0.0 110.476 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.684 HG23 HG13 ' A' 1539 ' ' ILE . 48.4 m -91.34 -23.27 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.55 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.07 91.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.14 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1535 ' ' CYS . . . . . 0.469 ' HA ' ' HZ2' ' A' 1568 ' ' LYS . 48.9 t -85.25 0.55 51.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.982 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.471 ' HE3' ' HA ' ' A' 1533 ' ' THR . 40.6 ttmt -61.82 133.73 93.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.48 -43.25 60.53 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.583 2.188 . . . . 0.0 112.214 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.642 ' HG3' ' HE3' ' A' 1604 ' ' LYS . 35.3 tt0 -61.0 -27.67 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.75 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.684 HG13 HG23 ' A' 1533 ' ' THR . 37.2 mm -93.52 110.52 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.037 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -74.47 -64.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.415 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.858 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.1 p90 -105.32 156.62 17.98 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.163 0.506 . . . . 0.0 111.74 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -145.12 97.67 3.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.326 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.741 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 11.6 p90 -153.78 173.66 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 111.858 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.644 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 21.3 pttp -110.81 150.75 28.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.894 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.831 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.7 m -141.46 -175.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.906 0.384 . . . . 0.0 111.599 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.404 ' HB3' HD13 ' A' 1564 ' ' LEU . 78.9 p -145.98 114.91 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.982 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.488 HD12 ' HB1' ' A' 1561 ' ' ALA . 44.3 mm -56.09 144.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.698 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1548 ' ' THR . . . . . 0.588 HG23 ' HA ' ' A' 1561 ' ' ALA . 4.8 t -138.14 -8.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.625 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.852 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 36.8 t -165.24 157.09 15.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.985 0.421 . . . . 0.0 111.426 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.6 mt -137.78 133.86 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.671 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1551 ' ' THR . . . . . 0.726 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 97.3 m -121.67 133.54 54.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 111.484 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 37.3 t -127.64 122.25 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.407 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.45 -86.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.273 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 15.6 m120 -134.36 -79.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.32 . . . . 0.0 111.218 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 86.8 t -93.75 -42.49 13.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -94.41 144.4 25.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.1 t -117.42 119.14 60.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.726 ' HB2' ' HB ' ' A' 1551 ' ' THR . 3.9 mptp? -85.73 158.11 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -144.48 119.11 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.852 ' HB2' ' HB3' ' A' 1549 ' ' SER . 35.3 mmtp -100.03 121.07 40.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.396 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.588 ' HA ' HG23 ' A' 1548 ' ' THR . . . -138.58 164.29 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.012 0.434 . . . . 0.0 111.673 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -112.92 131.11 55.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.735 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.831 ' HA ' HG12 ' A' 1545 ' ' VAL . 1.8 tt -66.38 134.24 52.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.644 ' HB2' ' HG3' ' A' 1544 ' ' LYS . 74.1 mt -90.12 -49.78 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.712 0.292 . . . . 0.0 110.824 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.8 t70 -166.98 138.46 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.741 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 65.6 mt -95.24 132.33 39.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.144 0.497 . . . . 0.0 112.063 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' 1542 ' ' ALA . 28.5 m-85 -107.33 -18.34 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.196 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.469 ' HZ2' ' HA ' ' A' 1535 ' ' CYS . 87.0 tttt -154.27 117.44 4.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.735 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1569 ' ' THR . . . . . 0.59 HG22 ' H ' ' A' 1571 ' ' GLU . 12.2 m -46.81 153.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.066 0.46 . . . . 0.0 111.616 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.858 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -84.98 -3.02 88.13 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.998 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.59 ' H ' HG22 ' A' 1569 ' ' THR . 37.2 tt0 59.55 10.24 1.84 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.14 0.495 . . . . 0.0 110.628 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -131.93 -77.21 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.335 0.588 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.462 ' O ' HG22 ' A' 1573 ' ' VAL . 9.3 p -151.7 37.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.014 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.721 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -83.12 116.36 22.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.919 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.409 ' O ' HD13 ' A' 1563 ' ' LEU . 45.7 mt-10 -129.83 137.01 50.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.663 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -51.93 122.46 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.693 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.0 t70 66.17 42.38 3.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 46.4 p -90.15 -168.0 2.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.562 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -111.88 104.88 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.526 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.656 HD12 ' HE1' ' A' 1582 ' ' PHE . 28.9 pt -100.96 148.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.52 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.5 m -140.32 100.42 3.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.653 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.656 ' HE1' HD12 ' A' 1580 ' ' ILE . 60.2 m-85 -94.33 136.2 34.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.309 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.691 HG22 ' HG3' ' A' 1558 ' ' LYS . 44.7 pt -123.95 146.15 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.891 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.785 ' HB3' HD22 ' A' 1621 ' ' LEU . 58.3 pttt -139.46 -169.69 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -101.72 -174.84 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.821 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.0 p -85.58 -29.12 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.3 p -82.3 6.64 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.99 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 25.7 t -90.93 31.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.682 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 7.3 t -54.98 -25.54 30.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.446 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 22.0 m120 -59.61 -55.62 32.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.914 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.472 ' HB1' ' HE2' ' A' 1517 ' ' MET . . . -67.57 102.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.731 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -107.17 146.26 31.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.192 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.6 mt -134.15 168.83 18.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.73 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.468 ' HB ' ' HB2' ' A' 1597 ' ' ARG . 49.0 t -133.29 130.89 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -68.72 107.28 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.688 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 106.03 6.99 36.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.323 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.634 ' HE ' ' HA ' ' A' 1597 ' ' ARG . 2.5 tpm_? -100.96 158.95 15.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.72 0.295 . . . . 0.0 110.653 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' 1597 ' ' ARG . 25.3 mt-30 -103.09 133.16 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -140.03 144.4 36.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.565 HD23 HH21 ' A' 1530 ' ' ARG . 61.2 tp -89.34 122.55 32.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.3 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.495 HG23 ' HE1' ' A' 1541 ' ' TYR . 77.3 mt -115.54 127.3 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.096 0.474 . . . . 0.0 111.549 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.488 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 60.1 mtp -144.52 118.27 9.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.194 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.568 ' N ' HG22 ' A' 1539 ' ' ILE . . . 174.57 -162.16 32.2 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.068 -1.063 . . . . 0.0 113.547 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.642 ' HE3' ' HG3' ' A' 1538 ' ' GLU . 35.0 mmtp -49.58 148.61 2.78 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.75 0.31 . . . . 0.0 111.317 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.41 -174.49 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.191 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -76.61 153.32 35.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.439 HD11 HG13 ' A' 1618 ' ' ILE . 93.2 mt -67.89 -170.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.791 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.46 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 54.7 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.272 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.46 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 16.5 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.439 HG13 HD11 ' A' 1607 ' ' LEU . 37.5 pt -66.73 -178.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.279 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.452 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 68.4 m-85 -128.62 134.84 26.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.991 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.87 171.81 16.68 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.588 2.192 . . . . 0.0 112.29 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.785 HD22 ' HB3' ' A' 1584 ' ' LYS . 52.1 tp -150.63 104.59 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.788 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.484 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 10.6 m-20 -137.7 -160.14 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 47.9 t -74.71 -34.77 62.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.558 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.8 pt? -67.11 -15.58 63.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.28 . . . . 0.0 110.964 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 55.6 m -71.23 112.81 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.488 ' HB3' ' HB2' ' A' 1602 ' ' MET . 50.1 t-105 -74.98 109.77 8.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' 1600 ' ' LEU . 62.9 mt -123.92 123.2 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.427 ' HG3' ' OE1' ' A' 1518 ' ' GLN . 41.0 tt0 -125.84 149.19 48.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.031 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.474 ' O ' ' HD3' ' A' 1631 ' ' PRO . 38.8 t80 -80.71 130.07 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -108.88 92.13 10.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.471 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.766 ' HB2' HD23 ' A' 1643 ' ' LEU . 50.4 Cg_exo -53.76 102.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.589 2.193 . . . . 0.0 112.408 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -74.71 -23.27 58.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.695 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -89.03 137.16 32.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.761 ' HA ' HD21 ' A' 1643 ' ' LEU . 19.5 pm0 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -66.16 -26.44 67.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.555 ' O ' HD13 ' A' 1646 ' ' LEU . 56.2 t80 -76.22 -31.39 58.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.809 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.766 HD23 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -74.15 -0.45 16.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.13 -54.78 4.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.7 p30 -62.7 -15.61 53.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.698 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.581 ' HA ' HH12 ' A' 1530 ' ' ARG . 8.6 mp -77.02 -32.16 56.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.609 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.96 -39.04 93.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1648 ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' 1652 ' ' ASP . 1.3 mp0 -74.52 -1.1 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 47.9 t80 -103.44 -30.77 10.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.803 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1650 ' ' ALA . . . . . 0.6 ' O ' HG22 ' A' 1653 ' ' ILE . . . -59.41 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.31 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1651 ' ' GLU . . . . . 0.616 ' HA ' ' HD2' ' A' 1654 ' ' PHE . 28.7 tt0 -60.75 -4.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.312 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' 1648 ' ' GLU . 22.6 t70 -74.47 -6.78 50.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.454 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' 1650 ' ' ALA . 6.6 tt -114.33 -42.34 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1654 ' ' PHE . . . . . 0.616 ' HD2' ' HA ' ' A' 1651 ' ' GLU . 9.5 m-85 -68.18 -44.8 75.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.937 0.399 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.407 HD22 ' OE1' ' A' 1651 ' ' GLU . 1.4 tp -75.89 -46.1 31.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.026 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' 1652 ' ' ASP . 44.0 m-80 -75.3 -72.1 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.88 108.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.883 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.709 0.29 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.63 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 35.2 t -50.17 110.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.801 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.458 ' HA3' ' HB3' ' A' 1591 ' ' ALA . . . 80.24 38.91 16.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.105 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -51.93 103.4 0.06 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.837 0.351 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 25.2 mmt -71.63 151.67 43.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1518 ' ' GLN . . . . . 0.471 ' HG3' ' HG2' ' A' 1628 ' ' GLU . 15.7 mm100 -79.92 167.89 19.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.582 ' HB2' ' HB3' ' A' 1522 ' ' ASP . 45.8 mt-10 -66.65 171.33 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -103.02 128.04 50.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' 1642 ' ' PHE . 76.0 mt 57.73 21.98 7.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.582 ' HB3' ' HB2' ' A' 1519 ' ' GLU . 5.4 p-10 -57.97 104.99 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.737 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 67.5 mt -91.13 97.33 11.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1524 ' ' THR . . . . . 0.443 HG22 HG13 ' A' 1525 ' ' ILE . 6.9 t -172.97 -24.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.443 HG13 HG22 ' A' 1524 ' ' THR . 60.0 mt -94.67 122.15 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 85.8 p -86.49 -175.75 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.795 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -81.93 0.45 39.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -119.56 -12.57 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 86.7 m -84.37 -36.27 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.438 ' HB3' HG21 ' A' 1525 ' ' ILE . 5.5 ptp180 -86.94 -24.61 24.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.021 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.598 ' HE3' HD12 ' A' 1653 ' ' ILE . 88.1 tttt -68.64 -22.48 64.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -55.6 -22.06 20.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.03 0.443 . . . . 0.0 110.326 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.722 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 48.2 m -91.03 -30.11 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.516 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.68 71.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 32.8 t -102.98 5.19 38.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.755 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.722 ' HE3' ' HA ' ' A' 1533 ' ' THR . 38.0 ttmt -61.18 137.48 94.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.739 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.22 -52.56 8.53 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.676 2.251 . . . . 0.0 112.865 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.434 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.7 pt-20 -59.6 -28.62 67.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.055 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.602 HD13 ' HA2' ' A' 1603 ' ' GLY . 45.3 mm -84.71 144.36 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.42 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -114.82 -67.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.694 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.897 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.0 p90 -93.13 157.82 16.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.29 0.567 . . . . 0.0 112.186 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.84 99.95 2.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.468 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.648 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.5 OUTLIER -152.38 179.46 8.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.046 0.451 . . . . 0.0 112.089 -178.723 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.635 ' NZ ' ' HB3' ' A' 1564 ' ' LEU . 22.8 pttp -115.97 141.23 48.39 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.751 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' 1563 ' ' LEU . 10.6 m -138.88 177.14 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.293 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.434 ' CB ' HD11 ' A' 1564 ' ' LEU . 18.2 t -146.1 129.91 17.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.577 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.2 mm -67.52 131.0 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.788 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1548 ' ' THR . . . . . 0.472 ' O ' ' HE2' ' A' 1595 ' ' LYS . 5.4 t -132.95 -10.66 3.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.548 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.833 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 56.3 m -150.11 138.71 20.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.3 mt -135.46 117.65 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 93.2 m -103.53 103.38 13.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.269 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.2 p -105.69 126.79 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.72 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -114.82 -67.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -166.33 -62.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.492 HG11 HG13 ' A' 1586 ' ' VAL . 4.9 m -107.57 -49.21 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.416 ' N ' HG22 ' A' 1555 ' ' VAL . 10.5 m-85 -95.43 113.21 24.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.636 HG11 ' HB3' ' A' 1584 ' ' LYS . 7.1 p -114.6 140.39 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.738 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 31.1 mttp -120.39 159.92 24.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.094 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.586 ' HE1' ' HE2' ' A' 1584 ' ' LYS . 89.8 m-85 -134.6 109.1 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.833 ' HB2' ' HB2' ' A' 1549 ' ' SER . 3.2 mmmp? -88.27 98.77 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.226 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.577 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -105.76 169.68 8.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 111.663 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 7.2 m -115.59 129.68 56.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.997 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.894 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.9 tp -73.2 95.27 2.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.635 ' HB3' ' NZ ' ' A' 1544 ' ' LYS . 9.0 mp -49.81 -50.88 43.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.578 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.6 t70 -166.25 152.52 9.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.765 HG12 HD22 ' A' 1563 ' ' LEU . 55.0 mt -99.5 123.08 52.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.942 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.536 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 84.0 m-85 -99.87 -20.73 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' 1569 ' ' THR . 2.7 tmtp? -154.66 123.13 6.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.303 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1569 ' ' THR . . . . . 0.47 HG22 ' H ' ' A' 1571 ' ' GLU . 4.6 m -46.11 155.73 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.202 0.525 . . . . 0.0 111.897 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.897 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -93.2 0.69 69.11 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.014 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.47 ' H ' HG22 ' A' 1569 ' ' THR . 44.2 mt-10 58.04 8.54 0.77 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.035 0.445 . . . . 0.0 110.7 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.419 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -152.38 71.22 0.94 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.224 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 94.1 t 56.33 80.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.412 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.504 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -108.9 125.06 51.61 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.09 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.485 ' O ' HD23 ' A' 1563 ' ' LEU . 41.0 mt-10 -135.06 146.35 48.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.915 0.388 . . . . 0.0 111.352 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.63 144.21 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.043 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.623 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.4 p30 46.93 32.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 61.2 p -70.61 -165.97 0.13 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -120.13 136.02 54.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.421 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.603 HD13 ' HE1' ' A' 1582 ' ' PHE . 20.8 pt -139.23 145.09 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 111.723 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 16.3 m -125.48 138.06 53.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.647 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.603 ' HE1' HD13 ' A' 1580 ' ' ILE . 48.5 m-85 -123.91 120.48 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.337 0.589 . . . . 0.0 111.504 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1583 ' ' ILE . . . . . . . . . . . . . 15.6 mm -89.31 152.49 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' 1621 ' ' LEU . 10.9 ttmm -146.45 146.42 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.445 ' N ' ' HG2' ' A' 1584 ' ' LYS . 30.7 mmtp -100.2 179.19 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.705 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1586 ' ' VAL . . . . . 0.492 HG13 HG11 ' A' 1555 ' ' VAL . 22.3 m -74.43 -22.01 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.276 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.6 p -72.55 -37.99 68.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.279 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.63 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.7 m -67.93 86.54 0.24 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.807 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 57.1 m -100.13 -33.17 10.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.99 -20.5 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.662 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.458 ' HB3' ' HA3' ' A' 1515 ' ' GLY . . . -90.84 126.64 36.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.73 137.1 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.482 HD23 HD12 ' A' 1547 ' ' ILE . 1.8 mp -120.91 169.97 9.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 62.1 t -123.81 140.5 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.9 tttm -75.61 110.14 9.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 123.92 -35.73 3.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.626 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -74.22 167.63 21.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.06 0.457 . . . . 0.0 111.285 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.14 144.37 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.741 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -141.19 142.23 34.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.299 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' 1627 ' ' ILE . 48.4 tp -87.67 133.16 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.072 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1601 ' ' ILE . . . . . . . . . . . . . 70.8 mt -130.85 130.77 64.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.09 0.471 . . . . 0.0 112.063 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.511 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 30.6 mtm -145.21 129.25 17.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.867 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.602 ' HA2' HD13 ' A' 1539 ' ' ILE . . . -179.06 175.31 47.19 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.154 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.606 ' HZ3' HD21 ' A' 1624 ' ' LEU . 0.0 OUTLIER -52.61 164.96 0.3 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 111.435 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -59.08 154.01 16.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.45 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -60.75 169.08 1.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.502 HD12 HG13 ' A' 1618 ' ' ILE . 7.5 mp -61.86 -177.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.399 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 19.4 m-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.502 HG13 HD12 ' A' 1607 ' ' LEU . 42.2 pt -89.7 173.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.789 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' 1582 ' ' PHE . 50.6 m-85 -128.65 131.06 23.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.424 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.14 179.31 6.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.562 2.175 . . . . 0.0 112.135 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.703 HD13 ' HB2' ' A' 1584 ' ' LYS . 32.7 mt -133.24 23.65 4.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -175.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.1 p -71.83 -20.0 61.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.606 HD21 ' HZ3' ' A' 1604 ' ' LYS . 3.5 tt -63.52 -49.05 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.56 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 44.0 m -53.57 101.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.472 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -62.92 105.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.544 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.7 mt -124.09 136.59 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.351 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.471 ' HG2' ' HG3' ' A' 1518 ' ' GLN . 46.9 mt-10 -135.44 155.89 49.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.456 ' O ' ' HD3' ' A' 1631 ' ' PRO . 13.2 t80 -86.35 115.81 24.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.442 ' CD2' HD13 ' A' 1646 ' ' LEU . 3.1 t-105 -98.82 103.31 18.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.131 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.58 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 63.6 Cg_exo -51.07 99.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.455 2.103 . . . . 0.0 112.314 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.99 -24.36 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.01 128.01 55.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.822 HG23 ' HG ' ' A' 1643 ' ' LEU . 82.5 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.991 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.837 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 6.3 mm100 . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.65 0.262 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1641 ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' 1640 ' ' GLN . . . 165.91 -75.54 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.58 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 43.9 t80 -108.45 -6.74 16.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.837 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.9 mm? -77.18 -6.23 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.085 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -78.98 -39.39 34.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.289 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -86.05 -7.18 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.551 HD11 HD11 ' A' 1643 ' ' LEU . 94.7 mt -93.65 -30.34 14.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.75 -44.45 64.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.79 -39.03 87.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' 1653 ' ' ILE . 88.7 t80 -65.75 -22.66 66.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -72.18 -59.05 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.369 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.07 -31.99 72.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.398 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.26 -65.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.585 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.598 HD12 ' HE3' ' A' 1531 ' ' LYS . 7.9 tp -61.46 -32.56 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.787 0.327 . . . . 0.0 111.594 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 45.8 t80 -71.55 -36.55 70.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.402 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 95.4 mt -97.66 -69.71 0.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.316 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.687 ' N ' HD21 ' A' 1656 ' ' ASN . 0.7 OUTLIER -59.06 -71.03 0.13 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.106 -179.513 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.51 ' HA2' HD13 ' A' 1653 ' ' ILE . . . 74.05 149.11 1.5 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.898 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' 1514 ' ' CYS . 4.2 p-10 . . . . . 0 CA--C 1.521 -0.142 0 N-CA-C 111.403 0.149 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' 1513 ' ' ASP . 4.4 p 38.01 -140.8 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.45 ' O ' ' HG3' ' A' 1517 ' ' MET . . . -66.18 75.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.248 -0.977 . . . . 0.0 111.343 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -49.52 126.96 14.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.719 0.295 . . . . 0.0 111.309 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.658 ' HE3' ' HA ' ' A' 1591 ' ' ALA . 43.9 mtm -132.16 134.9 45.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.844 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1518 ' ' GLN . . . . . 0.408 ' NE2' ' N ' ' A' 1518 ' ' GLN . 1.6 mp0 -65.7 173.84 2.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.85 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 46.6 mt-10 -67.95 -177.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1520 ' ' GLU . . . . . 0.592 ' HA ' ' HB3' ' A' 1629 ' ' TYR . 1.9 mp0 -89.97 -76.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.498 ' O ' ' HG ' ' A' 1523 ' ' LEU . 95.3 mt -85.98 31.45 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.223 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.85 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 19.1 t70 -58.81 106.01 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.784 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' 1521 ' ' LEU . 75.6 mt -104.31 96.04 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.4 t -173.3 -16.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.533 ' HB ' HH21 ' A' 1530 ' ' ARG . 65.3 mt -83.2 137.83 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.8 t -81.71 165.99 20.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -78.7 -17.61 55.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.5 mt-10 -91.99 -50.18 5.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.6 m -57.38 -33.75 68.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.533 HH21 ' HB ' ' A' 1525 ' ' ILE . 41.8 ttm180 -74.64 -26.15 59.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.74 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.519 ' HZ2' HD11 ' A' 1653 ' ' ILE . 9.0 tmtm? -82.4 -31.08 29.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.77 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.0 mt-30 -57.6 -16.51 10.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.639 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 60.5 m -87.61 -35.61 17.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.793 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.629 ' HB2' ' HE2' ' A' 1602 ' ' MET . . . -59.98 -25.83 65.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.08 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.9 t -116.89 5.06 12.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.566 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.784 ' HB3' HD11 ' A' 1539 ' ' ILE . 23.4 ttmm -61.97 141.62 95.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.556 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.54 -48.68 19.3 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.681 2.254 . . . . 0.0 113.025 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.593 ' HG3' HD12 ' A' 1539 ' ' ILE . 3.6 pt-20 -67.86 -5.85 18.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.636 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.855 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.4 mp -113.3 129.35 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.743 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -95.53 -63.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.439 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.497 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 6.1 p90 -102.85 159.8 15.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.007 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.46 93.62 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.689 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.675 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 1.3 p90 -143.16 -177.92 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.062 0.458 . . . . 0.0 112.023 -178.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 53.2 tttm -120.31 131.51 54.91 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.837 HG11 ' HA ' ' A' 1563 ' ' LEU . 13.7 m -129.88 -175.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.272 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.431 ' CB ' HD23 ' A' 1564 ' ' LEU . 22.9 t -151.56 136.13 17.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.556 HD13 ' HB1' ' A' 1561 ' ' ALA . 40.8 mm -72.73 127.21 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.72 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 67.1 p -118.6 -28.84 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.448 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.661 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 41.7 t -141.52 154.95 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.962 0.411 . . . . 0.0 111.263 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 81.9 mt -143.16 116.28 3.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.8 m -108.06 121.95 45.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 26.0 t -112.53 124.36 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -103.58 -79.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -147.79 -72.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 23.2 t -102.49 -40.48 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.57 117.34 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' 1583 ' ' ILE . 45.1 t -101.65 134.44 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.75 ' HG3' HG22 ' A' 1583 ' ' ILE . 3.7 mptp? -98.95 153.02 19.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.774 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' 1593 ' ' LEU . 94.7 m-85 -140.01 113.26 8.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.006 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.661 ' HB2' ' HB3' ' A' 1549 ' ' SER . 35.2 mmtp -94.39 118.37 31.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.462 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.556 ' HB1' HD13 ' A' 1547 ' ' ILE . . . -130.76 149.09 52.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.988 0.423 . . . . 0.0 111.475 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.8 m -99.27 137.74 37.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.117 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.837 ' HA ' HG11 ' A' 1545 ' ' VAL . 12.7 tp -81.06 101.07 9.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.373 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' 1546 ' ' SER . 4.0 mm? -60.39 -43.23 96.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.505 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.531 ' O ' ' HB2' ' A' 1543 ' ' TYR . 13.0 t70 -166.94 158.66 12.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.171 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.744 HG12 HD21 ' A' 1563 ' ' LEU . 54.4 mt -109.92 131.22 61.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.836 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.675 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 93.0 m-85 -106.41 -16.12 14.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.445 ' CB ' ' HB1' ' A' 1542 ' ' ALA . 10.8 tmtt? -158.25 110.28 2.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.359 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 31.8 m -42.23 146.51 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.231 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.723 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -103.82 136.41 12.95 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.498 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.39 -27.56 67.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.534 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.849 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -86.94 44.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.526 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.7 t 57.33 87.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.104 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.723 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -118.39 124.13 46.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.621 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.502 ' O ' HD22 ' A' 1563 ' ' LEU . 24.7 mm-40 -133.63 150.58 51.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.293 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -53.33 122.14 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.624 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 60.24 66.13 1.0 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.139 0.495 . . . . 0.0 110.691 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.633 ' H ' ' HB3' ' A' 1563 ' ' LEU . 41.9 p -109.54 -167.21 1.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.714 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -124.07 117.18 24.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.559 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.705 HD12 HG12 ' A' 1545 ' ' VAL . 12.1 pt -127.39 141.03 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.483 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 15.8 m -115.38 140.4 49.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.971 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.647 ' HD2' ' HB2' ' A' 1621 ' ' LEU . 51.3 m-85 -127.16 121.84 32.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.75 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.8 pt -115.99 143.33 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.4 ' HE2' ' CE2' ' A' 1559 ' ' TYR . 64.3 pttt -151.95 -175.35 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.977 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.7 mptp? -87.05 155.97 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.2 p -85.61 -15.41 10.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 76.3 p -81.2 9.06 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.365 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 11.2 t -63.17 123.99 20.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.581 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 15.1 m -114.95 59.44 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.605 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 3.3 p30 176.99 -31.22 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.253 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.658 ' HA ' ' HE3' ' A' 1517 ' ' MET . . . -105.69 127.59 53.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 111.563 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -144.94 85.43 1.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.584 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.493 HD12 HD12 ' A' 1547 ' ' ILE . 1.3 mm? -55.37 123.08 12.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.674 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 60.1 t -102.35 133.61 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.654 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.1 ttmt -76.25 127.16 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 101.57 0.71 53.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.658 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.674 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 87.8 mtt180 -106.53 164.66 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.952 0.406 . . . . 0.0 111.378 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -112.74 137.13 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.514 ' HH ' ' H ' ' A' 1594 ' ' VAL . 73.9 m-85 -136.59 147.66 47.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.08 0.467 . . . . 0.0 111.393 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 59.3 tp -95.26 124.55 39.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.114 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.479 HG23 ' HE1' ' A' 1541 ' ' TYR . 59.6 mt -112.57 128.97 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.092 0.472 . . . . 0.0 111.807 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.629 ' HE2' ' HB2' ' A' 1534 ' ' ALA . 71.0 mtp -145.54 109.4 4.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.095 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.855 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -177.62 -178.09 46.94 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.364 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' 1605 ' ' GLU . 4.9 tppp? -57.97 161.18 4.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 0.0 111.135 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.849 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.2 pt-20 -66.17 -179.64 0.8 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.964 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -99.25 164.29 12.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' 1607 ' ' LEU . 1.5 pt? -130.26 139.7 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.831 ' HB3' ' HD1' ' A' 1617 ' ' TYR . 56.9 tp60 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.039 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.831 ' HD1' ' HB3' ' A' 1608 ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.884 0.374 . . . . 0.0 111.095 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.542 HD13 HD13 ' A' 1583 ' ' ILE . 32.5 pt -116.29 123.75 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.635 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' 1619 ' ' TYR . 0.8 OUTLIER -69.19 121.42 81.84 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.884 -179.354 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1620 ' ' PRO . . . . . 0.495 ' HG3' HD21 ' A' 1607 ' ' LEU . 38.4 Cg_endo -65.75 -24.11 55.02 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.722 2.281 . . . . 0.0 112.758 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.778 HD13 HD13 ' A' 1627 ' ' ILE . 55.4 tp 51.87 86.53 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -108.86 -177.57 3.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 65.9 p -67.68 -11.76 58.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.8 -33.75 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.505 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.492 ' O ' HG13 ' A' 1627 ' ' ILE . 60.3 m -60.28 98.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.087 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 61.0 t-105 -58.33 103.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.778 HD13 HD13 ' A' 1621 ' ' LEU . 84.3 mt -109.87 131.31 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -138.12 119.3 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.013 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.592 ' HB3' ' HA ' ' A' 1520 ' ' GLU . 80.7 t80 -57.28 136.06 56.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -101.47 102.04 20.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' 1629 ' ' TYR . 50.4 Cg_exo -54.16 111.44 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.582 2.188 . . . . 0.0 112.406 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -87.95 -24.8 23.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.31 113.72 17.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.81 0.338 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.8 -21.0 66.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 39.0 t80 -96.76 -42.89 7.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.472 ' N ' HD21 ' A' 1643 ' ' LEU . 2.9 mm? -65.43 -18.88 65.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -68.62 -54.85 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -75.22 -21.22 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.71 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 56.5 tp -78.96 -29.4 43.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.714 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.0 -34.29 78.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.05 -17.07 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' 1653 ' ' ILE . 85.7 t80 -89.56 -24.69 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -57.96 -72.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.374 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.97 -27.16 61.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.49 ' OD1' ' HG3' ' A' 1531 ' ' LYS . 14.8 t70 -60.21 -68.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.28 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.519 HD11 ' HZ2' ' A' 1531 ' ' LYS . 8.5 tp -67.97 -25.39 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.422 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 39.1 t80 -73.95 -36.53 64.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.532 HD11 ' ND2' ' A' 1656 ' ' ASN . 2.5 tm? -105.57 -71.54 0.74 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.711 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.532 ' ND2' HD11 ' A' 1655 ' ' LEU . 19.5 m-80 -82.41 26.35 0.56 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.009 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -62.49 178.16 5.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.059 -0.591 . . . . 0.0 113.145 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.909 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.466 ' OD2' ' HB3' ' A' 1623 ' ' SER . 4.0 p-10 . . . . . 0 N--CA 1.457 -0.109 0 N-CA-C 111.241 0.089 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' 1516 ' ' GLN . 29.7 p 41.8 -145.75 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.55 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -61.34 76.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.207 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' 1514 ' ' CYS . 65.1 tt0 -51.7 104.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.802 0.334 . . . . 0.0 110.97 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 64.4 mtt -86.3 140.5 30.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -84.17 176.87 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.03 171.49 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.34 145.94 45.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' 1521 ' ' LEU . 0.2 OUTLIER 59.67 14.53 4.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.217 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.534 ' OD2' HG13 ' A' 1525 ' ' ILE . 37.5 t70 -63.85 101.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.283 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.444 HD21 ' HD1' ' A' 1642 ' ' PHE . 21.9 mt -86.01 28.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.509 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 64.2 p -116.97 9.45 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.62 0.248 . . . . 0.0 111.345 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.534 HG13 ' OD2' ' A' 1522 ' ' ASP . 76.4 mt -104.45 137.73 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.997 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 48.7 m -84.61 -176.01 6.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -87.65 -32.35 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.167 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' 1532 ' ' GLN . 15.4 mm-40 -84.33 -24.95 29.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 71.4 m -61.89 -34.46 76.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.511 ' NH2' ' HG2' ' A' 1628 ' ' GLU . 13.0 ptm180 -102.0 2.12 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.698 ' HE3' HG13 ' A' 1653 ' ' ILE . 19.2 tptm -98.22 -37.19 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' 1528 ' ' GLU . 80.4 mt-30 -54.2 -27.63 35.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.43 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.723 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 85.4 m -66.68 -41.46 88.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.713 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.73 ' HB1' ' HE1' ' A' 1602 ' ' MET . . . -67.44 -11.07 56.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.8 t -104.67 -7.85 19.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.723 ' HE2' ' HA ' ' A' 1533 ' ' THR . 52.2 mtmt -71.86 150.51 92.95 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.96 -27.18 30.65 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.564 2.176 . . . . 0.0 112.182 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.0 -12.39 60.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.739 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.649 HD11 ' HA2' ' A' 1603 ' ' GLY . 40.6 mm -111.48 153.58 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.693 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.501 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -128.52 -66.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.7 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.796 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.7 p90 -98.11 156.82 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.382 0.611 . . . . 0.0 112.291 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -150.33 100.45 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.585 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.511 ' HB2' ' O ' ' A' 1565 ' ' ASP . 9.6 p90 -144.9 174.76 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.111 0.482 . . . . 0.0 111.79 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.514 ' HD2' ' HH ' ' A' 1567 ' ' TYR . 14.9 ptmm? -114.98 139.17 50.05 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.118 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.84 HG11 ' HA ' ' A' 1563 ' ' LEU . 15.3 m -138.86 -179.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.639 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 11.2 t -144.12 122.66 12.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.701 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.542 HD11 ' HB2' ' A' 1561 ' ' ALA . 42.1 mm -61.75 141.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.838 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 68.9 p -135.17 -33.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.626 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 36.9 t -130.23 155.56 46.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.09 0.471 . . . . 0.0 111.402 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.451 HG12 ' HD1' ' A' 1559 ' ' TYR . 86.8 mt -143.22 115.47 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 73.3 m -117.75 124.36 48.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.695 HG21 HG22 ' A' 1557 ' ' VAL . 5.7 p -136.28 136.98 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -101.94 -72.21 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 18.0 m120 -143.79 -72.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.473 ' HB ' ' HB ' ' A' 1586 ' ' VAL . 6.8 m -99.49 -51.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.462 ' H ' HG23 ' A' 1555 ' ' VAL . 63.2 m-85 -82.46 130.27 35.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.846 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.695 HG22 HG21 ' A' 1552 ' ' VAL . 40.8 t -113.76 151.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.407 ' CB ' HG22 ' A' 1583 ' ' ILE . 35.6 mttp -137.15 107.56 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.451 ' HD1' HG12 ' A' 1550 ' ' ILE . 96.2 m-85 -93.91 146.12 24.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.714 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 62.4 mttm -128.86 133.07 47.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.492 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' 1547 ' ' ILE . . . -141.83 173.1 11.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.982 0.42 . . . . 0.0 111.577 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.3 m -110.11 134.34 52.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.784 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.84 ' HA ' HG11 ' A' 1545 ' ' VAL . 22.6 tp -72.69 122.13 20.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.081 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' 1545 ' ' VAL . 10.9 mp -81.2 -42.0 21.46 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.337 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.0 t70 -168.02 155.1 8.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.732 0.301 . . . . 0.0 111.498 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.577 HG12 HD22 ' A' 1563 ' ' LEU . 16.2 mm -103.54 125.49 58.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.561 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.514 ' HH ' ' HD2' ' A' 1544 ' ' LYS . 45.4 m-85 -106.19 -21.57 13.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.411 0.624 . . . . 0.0 109.588 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.501 ' HD2' ' O ' ' A' 1540 ' ' ALA . 3.4 tmtp? -151.21 118.88 6.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.13 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1569 ' ' THR . . . . . 0.567 HG21 ' H ' ' A' 1571 ' ' GLU . 2.9 m -46.44 151.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.115 0.483 . . . . 0.0 112.045 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.796 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -95.6 -4.96 60.4 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.905 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.567 ' H ' HG21 ' A' 1569 ' ' THR . 44.7 mt-10 74.49 -44.29 0.55 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.492 0.317 . . . . 0.0 110.91 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -87.8 48.75 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.492 . . . . 0.0 110.106 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 76.0 t 60.65 82.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.971 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.625 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -117.39 129.57 55.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.362 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.548 ' O ' HD23 ' A' 1563 ' ' LEU . 45.4 mt-10 -145.22 138.47 26.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.888 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -47.83 142.75 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.617 ' HA ' ' O ' ' A' 1563 ' ' LEU . 10.9 t70 71.37 31.53 2.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.419 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.622 ' H ' ' HB3' ' A' 1563 ' ' LEU . 4.4 m -92.87 -171.2 2.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -109.95 142.51 41.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.625 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.717 HD11 ' HE2' ' A' 1582 ' ' PHE . 32.1 pt -141.22 149.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.554 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 32.2 m -140.69 103.5 4.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.82 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.717 ' HE2' HD11 ' A' 1580 ' ' ILE . 89.4 m-85 -95.43 109.3 21.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.216 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.407 HG22 ' CB ' ' A' 1558 ' ' LYS . 41.5 pt -100.33 144.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.634 ' HB3' HD22 ' A' 1621 ' ' LEU . 65.4 pttt -129.65 175.09 9.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' 1585 ' ' LYS . 12.0 mptt -97.89 -175.23 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1586 ' ' VAL . . . . . 0.473 ' HB ' ' HB ' ' A' 1555 ' ' VAL . 8.0 p -85.04 -27.93 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.056 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.0 p -83.09 7.52 15.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.505 ' C ' ' H ' ' A' 1590 ' ' ASN . 41.3 t -69.79 -95.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 38.7 m 71.51 -27.18 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.73 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.505 ' H ' ' C ' ' A' 1588 ' ' CYS . 16.9 m120 -79.42 -26.51 41.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' 1515 ' ' GLY . . . -113.14 101.32 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -125.92 109.83 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.454 ' HB3' HG13 ' A' 1547 ' ' ILE . 90.1 mt -79.88 120.48 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 88.7 t -84.22 127.77 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -67.48 141.94 56.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 71.38 36.24 63.19 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.376 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.604 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 35.5 ttm180 -142.34 153.69 44.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -98.48 136.56 38.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 0.0 111.496 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.49 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 80.7 m-85 -138.77 159.38 42.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.789 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' 1543 ' ' TYR . 44.6 tp -108.82 124.39 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.551 HD12 HG23 ' A' 1545 ' ' VAL . 2.4 mp -113.88 129.19 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.481 . . . . 0.0 111.618 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.73 ' HE1' ' HB1' ' A' 1534 ' ' ALA . 77.1 mtp -142.32 111.47 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.923 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.649 ' HA2' HD11 ' A' 1539 ' ' ILE . . . -167.28 178.72 41.26 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 119.825 -1.178 . . . . 0.0 113.789 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.647 ' HD3' ' N ' ' A' 1605 ' ' GLU . 7.2 tmtm? -56.55 156.19 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 111.167 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.647 ' N ' ' HD3' ' A' 1604 ' ' LYS . 39.4 tt0 -52.95 150.95 5.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.229 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -71.74 146.45 48.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.984 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.0 mt -68.98 130.9 44.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.807 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.769 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.853 0.359 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 2.7 pp -106.27 152.4 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.601 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' 1582 ' ' PHE . 61.8 m-85 -101.06 123.34 45.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.297 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.86 -175.58 2.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.628 2.218 . . . . 0.0 112.234 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' 1584 ' ' LYS . 32.8 tp -154.9 96.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.55 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.1 m-20 -142.7 -174.04 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1623 ' ' SER . . . . . 0.466 ' HB3' ' OD2' ' A' 1513 ' ' ASP . 78.7 p -58.39 -22.76 55.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.6 -29.2 66.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 54.8 m -74.29 134.67 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.294 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.606 ' HB3' ' HB2' ' A' 1602 ' ' MET . 46.2 t-105 -99.07 106.04 18.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.5 mm -107.89 126.6 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.511 ' HG2' ' NH2' ' A' 1530 ' ' ARG . 10.0 tp10 -135.76 117.44 14.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.604 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 58.1 t80 -55.51 126.26 24.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.015 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -95.67 112.19 58.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.12 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.85 ' HG3' ' HB3' ' A' 1642 ' ' PHE . 10.8 Cg_endo -53.28 100.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.699 2.266 . . . . 0.0 112.393 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -60.88 -27.34 68.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.769 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -140.25 -169.53 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.004 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.518 HG21 ' N ' ' A' 1640 ' ' GLN . 73.3 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.518 ' N ' HG21 ' A' 1634 ' ' THR . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -49.98 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.378 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.85 ' HB3' ' HG3' ' A' 1631 ' ' PRO . 74.7 t80 -105.93 -14.97 15.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.083 0.468 . . . . 0.0 110.182 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.59 HD23 ' HG2' ' A' 1631 ' ' PRO . 20.2 mt -63.85 -21.1 66.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.717 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.51 77.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.787 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -84.18 -21.27 31.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.463 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' 1643 ' ' LEU . 89.6 mt -77.78 -31.59 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.704 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.48 -36.03 81.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.581 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -66.7 -56.62 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.714 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.499 ' O ' HG21 ' A' 1653 ' ' ILE . 86.1 t80 -55.81 -27.41 51.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.897 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -54.5 -63.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.162 0.506 . . . . 0.0 111.388 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.54 -1.97 56.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.39 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 15.9 t70 -84.72 -27.64 26.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.996 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.698 HG13 ' HE3' ' A' 1531 ' ' LYS . 20.0 tt -102.2 -27.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.035 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 46.1 t80 -76.43 -48.93 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.82 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 39.4 tp -71.72 -31.64 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.633 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -94.29 -78.02 0.45 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 -179.672 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.93 49.93 5.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.658 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.192 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.611 0.243 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.488 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 39.3 t 48.91 83.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.421 ' HA3' ' HB1' ' A' 1591 ' ' ALA . . . 127.97 -51.89 0.84 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.842 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 47.99 88.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.521 -0.34 . . . . 0.0 111.38 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.55 ' HE1' ' H ' ' A' 1592 ' ' GLU . 12.1 ptp -99.69 173.37 6.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -104.77 176.37 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.459 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 14.4 mm-40 -62.83 148.17 47.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.27 -75.69 0.08 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.277 0.56 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' 1521 ' ' LEU . 0.4 OUTLIER -121.25 93.41 4.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.925 -179.35 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' A' 1519 ' ' GLU . 4.0 m-20 -145.34 113.81 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.663 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.462 HD11 ' HB1' ' A' 1641 ' ' ALA . 28.9 mt -79.85 100.42 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.987 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 7.6 t -170.23 -18.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.038 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 60.0 mt -92.64 125.08 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1526 ' ' SER . . . . . 0.468 ' HB2' ' OG1' ' A' 1529 ' ' THR . 68.7 m -81.68 161.56 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1527 ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' 1649 ' ' PHE . . . -59.07 -55.76 30.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.702 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.38 -28.97 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.154 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1529 ' ' THR . . . . . 0.468 ' OG1' ' HB2' ' A' 1526 ' ' SER . 87.8 m -59.66 -37.09 77.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.426 ' NH2' HD23 ' A' 1646 ' ' LEU . 56.0 mtm180 -83.24 -40.2 19.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.435 ' HE2' ' HB2' ' A' 1658 ' ' CYS . 88.9 tttt -65.35 -22.02 66.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.761 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -55.66 -20.35 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.69 HG23 HG13 ' A' 1539 ' ' ILE . 95.5 m -101.65 -27.42 13.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.597 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.467 ' HB3' ' SD ' ' A' 1602 ' ' MET . . . -71.14 2.0 5.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.649 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.7 t -129.89 17.1 5.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 111.286 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.667 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.2 mtmt -94.65 152.09 39.63 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.27 -44.53 48.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.717 2.278 . . . . 0.0 112.57 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.459 ' HG3' HG12 ' A' 1539 ' ' ILE . 11.0 pt-20 -59.5 -22.72 62.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.69 HG13 HG23 ' A' 1533 ' ' THR . 33.6 mm -103.17 111.46 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.11 -58.62 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.447 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.426 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.3 p90 -106.76 159.73 16.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.055 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' A' 1568 ' ' LYS . . . -148.71 102.37 3.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.404 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.694 ' HB2' HD11 ' A' 1563 ' ' LEU . 1.4 p90 -150.71 177.01 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.047 0.451 . . . . 0.0 112.015 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.595 ' HZ1' HE21 ' A' 1598 ' ' GLN . 10.2 ptmm? -116.91 140.51 49.38 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.34 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.78 HG11 ' HA ' ' A' 1563 ' ' LEU . 5.7 m -134.22 -174.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.845 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' 1561 ' ' ALA . 13.6 t -150.73 124.66 9.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.777 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.82 143.4 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 69.8 p -133.55 -24.55 1.77 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.539 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.682 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 37.7 t -153.0 159.68 42.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 111.314 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.9 mt -139.45 130.52 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.887 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 87.5 m -140.82 107.91 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.792 HG11 HG23 ' A' 1557 ' ' VAL . 38.9 t -89.68 133.75 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1553 ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' 1556 ' ' PHE . 13.0 mm-40 -99.45 -168.32 1.59 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1554 ' ' ASN . . . . . 0.558 ' N ' HD21 ' A' 1554 ' ' ASN . 0.8 OUTLIER -59.77 -41.43 91.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.023 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 39.9 t -135.79 -55.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.29 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' 1553 ' ' GLU . 90.0 m-85 -81.4 105.01 12.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.792 HG23 HG11 ' A' 1552 ' ' VAL . 32.2 t -69.74 145.09 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.76 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.676 ' HE2' HD11 ' A' 1583 ' ' ILE . 35.2 mmtp -119.98 150.76 40.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.115 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.446 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 95.9 m-85 -139.86 125.67 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.794 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.706 ' HB2' ' HZ3' ' A' 1560 ' ' LYS . 0.1 OUTLIER -103.59 131.22 50.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' 1546 ' ' SER . . . -150.48 -173.9 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.372 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.7 m -131.56 131.75 43.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.78 ' HA ' HG11 ' A' 1545 ' ' VAL . 2.8 tp -76.82 107.41 9.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.482 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' 1545 ' ' VAL . 4.2 mm? -66.48 -58.84 4.4 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.621 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 16.8 t70 -141.53 156.58 45.72 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.366 -0.533 . . . . 0.0 112.097 -178.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.502 ' CD1' HD22 ' A' 1563 ' ' LEU . 16.1 mm -104.26 118.27 51.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.586 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.695 ' HD2' HG22 ' A' 1653 ' ' ILE . 56.0 m-85 -99.94 -13.37 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.588 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 87.3 tttt -164.2 112.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.63 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 55.6 m -44.84 148.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.26 0.552 . . . . 0.0 112.177 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.67 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -106.06 151.84 17.05 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.121 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.716 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 13.6 mm-40 -77.56 -2.85 37.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.882 0.372 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -128.31 80.57 1.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.683 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.445 HG11 ' O ' ' A' 1573 ' ' VAL . 5.5 p 35.27 82.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.784 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -107.23 124.03 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.913 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.716 ' HB3' ' HB3' ' A' 1578 ' ' SER . 29.4 tt0 -134.11 148.4 50.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.688 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.641 ' O ' ' HB2' ' A' 1577 ' ' ASP . 21.4 ptmt -78.52 48.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.509 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' A' 1576 ' ' LYS . 18.9 t70 164.12 8.82 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.236 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.716 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 28.7 p -72.3 -171.65 0.8 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -101.71 149.77 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.376 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.533 HD13 ' CE2' ' A' 1582 ' ' PHE . 14.7 pt -143.72 145.93 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.041 0.448 . . . . 0.0 111.831 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 16.8 m -133.69 99.92 4.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.318 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.539 ' HB3' HD11 ' A' 1621 ' ' LEU . 70.7 m-85 -81.54 113.63 19.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.676 HD11 ' HE2' ' A' 1558 ' ' LYS . 4.9 tt -99.26 111.08 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.047 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.417 ' HB2' HD22 ' A' 1621 ' ' LEU . 35.2 ttpt -111.06 152.22 27.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.68 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.557 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 95.0 mttt -86.56 -179.72 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.1 p -91.1 -21.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 79.5 p -74.51 -33.1 62.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.31 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 1.3 m -58.73 107.88 0.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 58.5 m -103.65 -25.68 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.096 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -81.44 -25.06 36.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.421 ' HB1' ' HA3' ' A' 1515 ' ' GLY . . . -92.11 109.21 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.27 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1592 ' ' GLU . . . . . 0.55 ' H ' ' HE1' ' A' 1517 ' ' MET . 43.3 mt-10 -132.07 140.89 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.593 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.414 HD12 HD23 ' A' 1621 ' ' LEU . 87.4 mt -126.57 144.07 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.075 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 46.0 t -110.22 141.41 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.87 106.6 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 121.29 -19.75 8.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.744 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.74 ' HA ' ' HD2' ' A' 1632 ' ' ARG . 10.2 mpt_? -88.52 158.87 18.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.995 0.426 . . . . 0.0 111.443 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.595 HE21 ' HZ1' ' A' 1544 ' ' LYS . 26.2 mt-30 -102.03 144.75 30.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.526 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -143.04 157.87 44.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 0.0 111.421 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' 1543 ' ' TYR . 35.5 tp -104.23 120.68 41.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.228 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.563 HD13 HG21 ' A' 1545 ' ' VAL . 2.5 mp -115.34 126.27 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.972 0.415 . . . . 0.0 111.668 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.467 ' SD ' ' HB3' ' A' 1534 ' ' ALA . 25.9 mtm -142.26 118.5 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.055 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' A' 1539 ' ' ILE . . . -175.86 -177.83 45.2 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.317 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -56.55 155.7 7.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.867 0.365 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.716 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 13.3 pt-20 -57.55 170.05 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.984 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -91.81 116.02 28.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 9.9 mt -90.95 91.87 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.467 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.726 ' HG3' ' H ' ' A' 1618 ' ' ILE . 69.7 mm-40 . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 121.024 0.44 . . . . 0.0 110.903 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.523 ' HA ' ' HB2' ' A' 1608 ' ' GLN . 7.8 m-85 . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 121.463 0.649 . . . . 0.0 112.183 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.726 ' H ' ' HG3' ' A' 1608 ' ' GLN . 2.0 pt -150.73 100.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.812 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -57.37 108.94 1.42 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.536 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1620 ' ' PRO . . . . . 0.667 ' HA ' HG22 ' A' 1583 ' ' ILE . 69.4 Cg_endo -74.08 143.97 33.16 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.659 2.24 . . . . 0.0 112.221 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' 1582 ' ' PHE . 10.2 mp -103.04 93.33 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.84 177.17 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.668 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 61.1 p -61.0 -15.13 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.7 pp -94.02 14.66 19.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 62.7 m -109.34 119.91 40.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.448 ' O ' ' HA ' ' A' 1601 ' ' ILE . 53.6 t-105 -82.45 110.47 17.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.69 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.8 mt -126.01 115.39 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -123.85 150.54 44.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -83.48 114.01 21.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.433 ' CE2' HD11 ' A' 1646 ' ' LEU . 2.5 t-105 -93.75 115.34 64.98 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.251 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.717 ' HB2' HD11 ' A' 1643 ' ' LEU . 75.9 Cg_exo -49.51 107.23 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.492 2.128 . . . . 0.0 112.432 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1632 ' ' ARG . . . . . 0.74 ' HD2' ' HA ' ' A' 1597 ' ' ARG . 80.9 mtp180 -50.01 -35.5 24.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.245 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 39.2 t70 -117.05 147.95 41.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.051 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.7 HG21 ' HG ' ' A' 1643 ' ' LEU . 76.4 p . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.45 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.841 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 43.2 mt-30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.904 0.383 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1641 ' ' ALA . . . . . 0.462 ' HB1' HD11 ' A' 1523 ' ' LEU . . . -54.24 -72.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 57.7 t80 -81.5 -21.59 38.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.841 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.7 mm? -72.01 -5.92 38.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -80.94 -43.79 19.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -73.25 -11.73 60.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.69 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' 1643 ' ' LEU . 80.1 mt -87.23 -28.7 22.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.775 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -63.73 -39.19 93.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.42 -50.66 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.764 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.454 ' HB2' ' HB3' ' A' 1527 ' ' ALA . 85.4 t80 -62.33 -30.49 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.07 89.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.385 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -96.64 -4.38 41.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.578 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.8 t70 -89.85 -23.36 21.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.695 HG22 ' HD2' ' A' 1567 ' ' TYR . 9.5 tp -97.13 -18.11 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.041 0.448 . . . . 0.0 110.728 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.8 t80 -93.56 -48.1 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.294 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 45.3 tp -79.36 -54.76 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.644 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -76.92 -74.63 0.23 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.182 -179.53 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 72.88 119.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1658 ' ' CYS . . . . . 0.435 ' HB2' ' HE2' ' A' 1531 ' ' LYS . 42.2 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.737 0.303 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 5.4 p -101.13 24.5 9.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.268 0.556 . . . . 0.0 110.461 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -173.82 -43.8 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.428 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 58.23 97.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.918 0.389 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.458 ' HE1' ' HA ' ' A' 1591 ' ' ALA . 21.6 ptp -96.11 169.53 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1518 ' ' GLN . . . . . 0.412 ' HB2' ' HG2' ' A' 1628 ' ' GLU . 29.1 mm-40 -98.49 172.42 7.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.76 159.06 26.01 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1520 ' ' GLU . . . . . 0.655 ' HA ' ' HB3' ' A' 1629 ' ' TYR . 44.6 mt-10 -82.0 -19.33 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.671 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 41.1 mt -150.25 97.79 2.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -137.01 109.78 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.631 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 45.4 mt -86.61 12.46 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.954 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 73.6 p -85.69 -43.53 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.3 mt -74.3 134.87 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 62.9 m -92.12 -176.65 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1527 ' ' ALA . . . . . 0.466 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -74.98 -52.81 10.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -67.22 -21.09 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 72.5 m -66.23 -38.66 88.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -97.22 -3.11 41.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.533 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.1 tmtp? -84.54 -34.3 23.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.5 mm-40 -56.36 -21.86 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.002 0.43 . . . . 0.0 110.525 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.617 HG23 ' HE2' ' A' 1536 ' ' LYS . 82.6 m -80.66 -30.5 36.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.758 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.437 ' HB1' ' HE1' ' A' 1602 ' ' MET . . . -59.7 -52.71 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.187 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.8 t -85.04 8.46 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.646 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 33.4 ttpt -66.93 137.85 94.9 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.588 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1537 ' ' PRO . . . . . 0.631 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 9.6 Cg_endo -52.04 -53.25 7.28 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.921 2.414 . . . . 0.0 113.034 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.646 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 11.2 pt-20 -59.75 -18.59 44.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 0.0 111.201 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.772 HD11 ' HA2' ' A' 1603 ' ' GLY . 43.3 mm -96.8 140.14 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.842 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -107.56 -67.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.72 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.471 ' HE1' HG22 ' A' 1601 ' ' ILE . 5.4 p90 -103.23 158.69 16.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.182 0.515 . . . . 0.0 111.925 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -146.9 94.12 2.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.304 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.754 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 5.6 p90 -147.37 168.97 20.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 111.753 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.508 ' HG2' ' HE1' ' A' 1567 ' ' TYR . 23.2 ptmt -103.56 144.07 31.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.346 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.868 HG12 ' HA ' ' A' 1563 ' ' LEU . 18.9 m -140.92 -176.3 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.484 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 15.1 t -147.83 129.94 15.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.4 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 42.5 mm -63.14 124.45 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1548 ' ' THR . . . . . 0.506 ' HG1' ' HA ' ' A' 1561 ' ' ALA . 73.4 p -111.75 -13.18 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.63 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.705 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 35.1 t -169.28 157.83 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.989 0.424 . . . . 0.0 111.321 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.441 HG12 ' HD1' ' A' 1559 ' ' TYR . 76.3 mt -136.34 103.69 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.801 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.8 m -91.59 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.0 p -96.17 132.57 40.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.013 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1553 ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' 1556 ' ' PHE . 43.8 mt-10 -117.6 -166.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.27 -56.31 23.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.143 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 38.6 t -122.66 -45.5 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.381 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' 1553 ' ' GLU . 93.1 m-85 -85.23 168.93 14.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 111.12 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 69.9 t -143.27 144.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.621 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.489 ' HG2' ' CD1' ' A' 1583 ' ' ILE . 87.5 mttt -123.99 109.96 14.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.07 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 96.4 m-85 -88.5 107.55 18.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.705 ' HB3' ' HB3' ' A' 1549 ' ' SER . 22.3 tptm -84.88 120.31 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.468 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.506 ' HA ' ' HG1' ' A' 1548 ' ' THR . . . -141.24 163.73 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.053 0.454 . . . . 0.0 111.662 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.6 m -110.65 144.38 39.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.773 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.868 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.3 tt -77.62 119.54 21.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.172 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.562 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.0 mp -74.54 -48.93 24.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.783 0.325 . . . . 0.0 111.03 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.1 t70 -167.86 141.6 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.754 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.3 mt -96.96 129.95 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.066 0.46 . . . . 0.0 112.119 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.508 ' HE1' ' HG2' ' A' 1544 ' ' LYS . 48.3 m-85 -106.1 -15.92 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.125 178.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.567 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 61.7 tttp -153.42 112.49 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.749 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 72.5 m -45.41 146.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.153 0.501 . . . . 0.0 112.033 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.737 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -100.61 131.61 10.63 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.275 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -58.25 -27.95 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.64 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.68 42.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.502 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 71.1 t 56.56 91.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.321 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.737 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -114.63 136.72 52.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.672 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -138.96 149.35 44.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.096 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -52.61 119.08 4.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.303 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.697 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 62.83 69.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 22.8 t -111.97 -166.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.411 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -110.8 135.92 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.697 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.573 HD13 ' HE1' ' A' 1582 ' ' PHE . 18.3 pt -141.38 143.11 28.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.618 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 6.2 m -127.79 105.85 8.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.657 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.573 ' HE1' HD13 ' A' 1580 ' ' ILE . 64.3 m-85 -80.4 104.27 10.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.075 0.464 . . . . 0.0 111.219 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.489 ' CD1' ' HG2' ' A' 1558 ' ' LYS . 1.1 mm -81.97 120.3 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.26 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.566 ' HB2' HD23 ' A' 1621 ' ' LEU . 34.1 ttpt -142.76 157.92 44.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.043 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -91.86 -176.55 4.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 13.8 p -100.51 -9.19 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.5 p -71.35 -25.41 62.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.477 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.9 m -60.24 167.99 2.19 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.017 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 28.4 m -154.33 -17.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.748 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.402 ' O ' ' HG2' ' A' 1517 ' ' MET . 36.0 m-80 -110.06 -13.56 14.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.185 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.458 ' HA ' ' HE1' ' A' 1517 ' ' MET . . . -103.23 39.64 1.54 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -100.23 111.18 23.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.51 HD11 ' N ' ' A' 1593 ' ' LEU . 3.4 mp -95.89 158.68 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 49.6 t -104.75 146.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' 1548 ' ' THR . 86.9 tttt -81.58 141.52 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 93.4 -12.69 69.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.779 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.689 ' HD3' ' HE2' ' A' 1629 ' ' TYR . 93.0 mtt180 -99.64 171.9 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.432 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.545 ' HG3' ' HD2' ' A' 1632 ' ' ARG . 27.1 mt-30 -111.88 133.46 54.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -135.06 141.62 46.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.314 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 61.0 tp -78.29 140.44 38.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.149 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.471 HG22 ' HE1' ' A' 1541 ' ' TYR . 47.9 mm -128.93 121.4 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.105 0.478 . . . . 0.0 111.755 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.437 ' HE1' ' HB1' ' A' 1534 ' ' ALA . 74.0 mtp -145.68 109.0 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.001 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.772 ' HA2' HD11 ' A' 1539 ' ' ILE . . . -174.69 -172.94 40.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 119.875 -1.155 . . . . 0.0 113.646 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.52 ' HZ2' ' HG2' ' A' 1605 ' ' GLU . 27.8 tptp -53.44 157.37 2.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.45 -0.375 . . . . 0.0 111.277 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.64 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.7 pt-20 -71.22 -174.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.439 ' HB1' ' CD2' ' A' 1619 ' ' TYR . . . -93.85 -177.22 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.0 mt -93.36 -168.93 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.428 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 33.7 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 29.6 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.682 0.277 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' 1618 ' ' ILE . 2.6 pp -52.37 146.05 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.479 ' CE1' HG23 ' A' 1580 ' ' ILE . 56.1 m-85 -97.5 122.72 54.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.816 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.59 -174.49 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.523 2.149 . . . . 0.0 112.204 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.566 HD23 ' HB2' ' A' 1584 ' ' LYS . 44.3 tp -159.2 95.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.776 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.503 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.8 m-20 -122.83 -176.54 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 75.2 p -63.66 -17.35 62.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.95 10.75 10.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.836 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.486 HG21 HG13 ' A' 1627 ' ' ILE . 36.7 m -100.4 106.79 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -78.1 104.13 8.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.777 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.486 HG13 HG21 ' A' 1625 ' ' THR . 66.0 mt -120.83 141.48 41.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.085 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.412 ' HG2' ' HB2' ' A' 1518 ' ' GLN . 47.6 mt-10 -138.81 -176.81 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.689 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 63.5 t80 -114.37 135.28 54.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.68 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -106.27 100.78 31.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.697 ' HB2' HD23 ' A' 1643 ' ' LEU . 52.8 Cg_exo -52.73 110.54 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.608 2.205 . . . . 0.0 112.414 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1632 ' ' ARG . . . . . 0.545 ' HD2' ' HG3' ' A' 1598 ' ' GLN . 74.0 mtp180 -81.22 -5.39 57.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -100.6 115.46 30.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.775 ' HA ' HD21 ' A' 1643 ' ' LEU . 11.8 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.771 0.319 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.55 96.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 71.9 t80 -65.56 -32.82 74.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.775 HD21 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -73.07 -32.39 64.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.53 81.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -73.27 -4.99 36.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 51.9 tp -99.58 -25.87 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.71 -41.47 90.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.652 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.68 -28.04 68.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.652 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.466 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 73.4 t80 -79.84 -33.01 40.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -62.26 -24.58 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.411 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -102.7 -35.81 8.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.941 0.401 . . . . 0.0 111.013 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' 1656 ' ' ASN . 20.2 t70 -62.9 -11.4 18.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.291 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' 1649 ' ' PHE . 9.3 tp -106.05 -30.86 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 111.193 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 50.6 t80 -93.68 -55.34 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' 1655 ' ' LEU . 1.6 tm? -66.03 -43.95 86.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.332 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.585 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -89.71 -70.9 0.64 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.246 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.89 174.73 37.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.886 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.535 0.207 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' 1589 ' ' THR . 31.6 p -46.64 141.58 3.71 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 42.89 40.1 3.95 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.131 -1.033 . . . . 0.0 111.161 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -32.16 112.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.87 -0.665 . . . . 0.0 112.056 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.518 ' H ' HD22 ' A' 1590 ' ' ASN . 24.5 mmt -97.09 -168.16 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.53 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -136.31 165.82 24.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.76 139.92 55.61 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -66.12 -23.3 66.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 70.0 mt -149.57 99.83 2.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -120.47 119.04 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.746 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 54.4 mt -106.08 4.52 29.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 70.7 p -92.67 -26.22 17.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.7 mt -80.89 129.43 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.8 m -82.86 163.41 21.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -68.72 -21.9 64.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.0 mt-10 -88.4 -28.94 20.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 64.4 m -62.55 -44.01 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' 1530 ' ' ARG . 4.4 ptp180 -76.41 -9.42 58.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.665 ' HD2' ' HB1' ' A' 1534 ' ' ALA . 22.8 tptm -91.56 -26.19 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.0 mm-40 -59.03 -17.41 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.988 0.423 . . . . 0.0 110.465 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.763 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 71.1 m -93.42 -28.33 16.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' 1531 ' ' LYS . . . -68.82 -41.27 78.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.514 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 31.2 t -70.36 -5.52 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.763 ' HE2' ' HA ' ' A' 1533 ' ' THR . 49.9 mtmt -79.95 142.5 56.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.978 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.39 -28.2 84.17 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.732 2.288 . . . . 0.0 112.317 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.88 -30.94 69.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.86 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -99.15 120.36 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -93.92 -59.1 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.962 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.437 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -105.78 167.5 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.426 0.631 . . . . 0.0 112.36 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -156.07 114.78 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.438 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.701 ' HB2' HD13 ' A' 1563 ' ' LEU . 0.8 OUTLIER -167.22 171.02 11.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 112.088 -179.308 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.459 ' HE2' ' CD2' ' A' 1630 ' ' TRP . 15.0 ttmt -106.27 124.37 49.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.601 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.649 HG13 ' HA ' ' A' 1563 ' ' LEU . 30.4 m -114.76 177.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.348 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.429 ' HB3' HD12 ' A' 1564 ' ' LEU . 80.6 p -146.17 116.01 7.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.045 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 39.6 mm -55.67 142.69 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.726 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 61.6 p -130.46 -34.36 1.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.77 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 75.3 m -147.48 146.92 29.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 111.533 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.1 mt -129.67 138.58 53.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 68.5 m -151.28 136.9 17.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.235 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.725 HG23 HG21 ' A' 1557 ' ' VAL . 5.1 p -115.25 137.77 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -139.7 119.65 13.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 59.81 -84.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.11 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' 1556 ' ' PHE . 5.0 m -131.24 -48.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.476 ' HA ' ' O ' ' A' 1584 ' ' LYS . 96.3 m-85 -69.83 120.69 15.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.725 HG21 HG23 ' A' 1552 ' ' VAL . 30.7 t -98.0 116.36 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.738 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.6 OUTLIER -83.94 150.32 25.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -137.7 101.34 4.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -82.43 111.13 18.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.467 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -114.62 -178.3 3.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.489 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 10.0 m -136.3 114.75 11.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.717 HD21 HG12 ' A' 1566 ' ' ILE . 16.4 tp -60.63 103.83 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.469 ' H ' ' HA ' ' A' 1545 ' ' VAL . 74.0 mt -61.04 -41.06 95.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.226 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.457 ' O ' HD13 ' A' 1563 ' ' LEU . 20.8 t70 -168.97 150.45 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.717 HG12 HD21 ' A' 1563 ' ' LEU . 54.6 mt -90.44 142.52 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 121.149 0.5 . . . . 0.0 112.009 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' 1542 ' ' ALA . 42.0 m-85 -121.42 -13.49 8.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.14 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.538 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.6 tttp -168.79 109.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.429 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 26.3 m -42.29 143.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.213 0.53 . . . . 0.0 112.288 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.716 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -100.86 126.4 8.91 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.33 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -59.04 -24.68 63.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.785 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.559 ' HB3' ' HB2' ' A' 1605 ' ' GLU . . . -91.07 43.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.628 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.5 t 58.34 92.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.215 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.716 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -125.01 129.35 50.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.602 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.578 ' O ' HD22 ' A' 1563 ' ' LEU . 43.2 mt-10 -136.33 152.93 51.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.504 ' N ' HD11 ' A' 1566 ' ' ILE . 61.3 tttm -60.93 129.71 42.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.981 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.545 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.7 t70 62.02 43.87 8.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.179 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.508 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 45.0 m -90.95 -176.81 4.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.661 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -122.39 119.63 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.616 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.676 HD13 ' H ' ' A' 1580 ' ' ILE . 0.2 OUTLIER -130.94 160.32 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.395 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 20.2 m -123.03 133.53 54.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.571 ' HA ' ' O ' ' A' 1619 ' ' TYR . 36.5 m-85 -117.44 114.62 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.738 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.8 pt -98.87 152.46 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.367 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.757 ' HB3' HD13 ' A' 1621 ' ' LEU . 60.8 pttt -142.71 -172.23 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.563 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -124.01 135.03 53.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 19.6 m -65.84 -11.94 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.2 p -88.3 2.94 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 11.0 t -88.67 124.29 33.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1589 ' ' THR . . . . . 0.48 ' N ' ' SG ' ' A' 1514 ' ' CYS . 20.8 m -113.5 65.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.957 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.518 HD22 ' H ' ' A' 1517 ' ' MET . 5.5 t30 -175.16 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -84.39 131.56 34.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.003 0.43 . . . . 0.0 111.5 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -141.06 138.81 33.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.775 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 97.0 mt -135.75 121.29 19.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 67.5 t -99.01 142.43 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.2 tttt -69.28 141.13 54.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 58.63 66.1 3.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.57 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' 1599 ' ' TYR . 32.3 ttt180 -151.85 150.93 30.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.66 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -87.19 116.67 25.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.481 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' 1597 ' ' ARG . 49.0 m-85 -130.06 123.85 31.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.062 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.872 ' HB3' ' HB2' ' A' 1628 ' ' GLU . 55.0 tp -82.41 122.44 28.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.411 HD11 ' CZ ' ' A' 1582 ' ' PHE . 85.6 mt -117.17 138.19 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.025 0.441 . . . . 0.0 111.643 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.625 ' HG2' HG22 ' A' 1539 ' ' ILE . 57.9 ttp -154.9 128.23 8.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.403 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.86 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 161.47 -158.27 30.02 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.472 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 27.1 tptp -43.75 154.12 0.11 Allowed 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 122.75 0.42 . . . . 0.0 111.654 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' 1572 ' ' ALA . 10.3 pt-20 -82.1 55.7 2.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.487 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . 53.62 -167.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.964 0.411 . . . . 0.0 111.647 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 25.7 tp -98.7 164.5 12.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.599 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 120.842 0.353 . . . . 0.0 111.321 -179.55 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.825 0.345 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.584 HD13 HD12 ' A' 1583 ' ' ILE . 41.8 pt -105.85 130.06 57.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' 1582 ' ' PHE . 2.8 m-85 -72.77 115.13 36.78 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.235 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.23 -172.19 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.728 2.285 . . . . 0.0 112.399 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.757 HD13 ' HB3' ' A' 1584 ' ' LYS . 83.5 mt -143.74 99.79 3.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.729 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -123.1 -171.61 2.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.7 p -80.48 0.86 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.6 pp -95.3 -34.9 12.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.459 ' O ' HG12 ' A' 1627 ' ' ILE . 39.0 m -59.14 97.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.172 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -60.33 105.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.796 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' 1625 ' ' THR . 50.6 mm -101.97 142.68 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.0 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.872 ' HB2' ' HB3' ' A' 1600 ' ' LEU . 20.8 mm-40 -141.52 158.91 43.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 48.3 t80 -107.46 132.29 53.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.586 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.459 ' CD2' ' HE2' ' A' 1544 ' ' LYS . 4.4 t-105 -107.88 103.42 49.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.797 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.604 ' HB2' HD11 ' A' 1643 ' ' LEU . 72.0 Cg_exo -49.37 117.77 3.15 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.641 2.228 . . . . 0.0 112.263 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -77.8 5.25 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.222 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -140.07 179.23 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.383 . . . . 0.0 111.22 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 57.4 p . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.061 179.886 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.826 0.346 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.28 70.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.212 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' 1646 ' ' LEU . 55.6 t80 -87.94 -33.92 18.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' 1631 ' ' PRO . 1.1 tp -70.1 -11.98 61.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -93.35 -31.89 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -87.25 -20.08 27.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.486 HD22 ' HE2' ' A' 1642 ' ' PHE . 62.3 tp -91.29 -24.02 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.09 -34.81 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.785 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -63.81 -37.29 86.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.759 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.443 ' O ' HG23 ' A' 1653 ' ' ILE . 89.3 t80 -76.81 -27.96 55.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -61.86 -23.38 66.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.278 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -115.93 -3.58 12.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.037 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.678 ' HA ' HD21 ' A' 1656 ' ' ASN . 20.5 t70 -90.68 -10.62 42.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.493 HD12 ' HD2' ' A' 1568 ' ' LYS . 6.9 tp -108.27 -30.6 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.037 0.446 . . . . 0.0 110.788 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 38.1 t80 -84.67 -46.83 11.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.992 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.36 -63.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.715 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.678 HD21 ' HA ' ' A' 1652 ' ' ASP . 20.3 m-80 -63.93 -72.45 0.14 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.404 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 68.71 162.03 2.46 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.401 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 38.9 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.893 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.614 0.245 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.555 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 8.2 t 52.1 92.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.305 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . 80.67 42.79 9.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.707 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -47.81 130.77 14.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.377 -0.411 . . . . 0.0 111.207 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 85.0 mtp -118.1 166.19 12.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -94.14 153.86 17.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.68 167.14 13.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -99.19 120.53 39.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.2 mt 57.01 90.33 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.424 ' O ' HG21 ' A' 1524 ' ' THR . 7.5 p-10 -148.27 83.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.788 HD21 ' H ' ' A' 1523 ' ' LEU . 0.5 OUTLIER -59.8 98.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1524 ' ' THR . . . . . 0.424 HG21 ' O ' ' A' 1522 ' ' ASP . 7.5 t -173.81 -18.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 61.2 mt -88.69 135.38 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1526 ' ' SER . . . . . 0.541 ' HB3' ' HG1' ' A' 1529 ' ' THR . 47.5 t -81.73 150.86 27.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.37 59.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -73.49 -36.88 65.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1529 ' ' THR . . . . . 0.541 ' HG1' ' HB3' ' A' 1526 ' ' SER . 63.1 m -59.51 -33.35 71.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.519 HH22 HD12 ' A' 1646 ' ' LEU . 55.5 mtm180 -81.92 -40.4 22.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.565 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.5 tmtp? -58.79 -41.34 86.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.695 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.2 mm-40 -51.74 -29.41 18.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.67 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.708 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 59.3 m -70.43 -38.32 74.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.788 ' HB3' ' HE3' ' A' 1602 ' ' MET . . . -69.02 -25.64 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.986 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 42.3 t -85.34 -14.08 47.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.708 ' HE3' ' HA ' ' A' 1533 ' ' THR . 97.8 mttt -58.03 150.37 51.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.23 -4.36 12.56 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.457 2.105 . . . . 0.0 112.202 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -92.02 -71.28 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.684 HG13 HG21 ' A' 1533 ' ' THR . 43.6 mm -48.63 147.48 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.55 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.473 ' N ' ' HA ' ' A' 1604 ' ' LYS . . . -119.73 -70.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.626 ' HA ' ' O ' ' A' 1568 ' ' LYS . 8.7 p90 -89.63 144.37 26.05 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -155.49 108.79 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.757 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER -175.64 -123.81 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.636 178.083 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.617 ' HD3' HE21 ' A' 1598 ' ' GLN . 39.1 ttmt -135.95 147.52 48.11 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.431 0.634 . . . . 0.0 112.242 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.629 ' HA ' ' H ' ' A' 1564 ' ' LEU . 3.6 m -144.01 168.61 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.058 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 31.3 t -138.15 118.99 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 111.409 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 45.9 mm -57.45 135.71 21.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.715 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 75.6 p -111.16 -43.8 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.626 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 66.7 m -151.37 161.33 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.033 0.444 . . . . 0.0 111.471 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 78.4 mt -127.93 98.68 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.693 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1551 ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 85.3 m -81.89 122.51 27.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.326 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 89.7 t -111.93 122.98 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.745 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -109.25 -73.59 0.68 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.031 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 44.6 t30 -167.88 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.425 ' O ' HG11 ' A' 1586 ' ' VAL . 62.1 t -95.17 -21.39 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.495 ' HA ' ' O ' ' A' 1584 ' ' LYS . 89.9 m-85 -126.49 108.29 11.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.727 HG21 HG12 ' A' 1586 ' ' VAL . 86.6 t -93.37 115.3 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.776 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.829 ' HG3' HG23 ' A' 1583 ' ' ILE . 0.7 OUTLIER -85.71 144.76 27.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 -179.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.537 ' HH ' ' HZ3' ' A' 1584 ' ' LYS . 96.2 m-85 -127.16 99.54 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.603 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -79.66 137.79 37.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -151.84 176.3 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.198 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 51.8 m -123.58 111.85 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.995 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.66 HD22 ' CG1' ' A' 1566 ' ' ILE . 14.6 tp -64.98 101.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.515 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.629 ' H ' ' HA ' ' A' 1545 ' ' VAL . 10.8 mp -56.14 -66.53 0.42 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.875 0.369 . . . . 0.0 111.97 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.757 ' O ' ' HB3' ' A' 1543 ' ' TYR . 8.2 m-20 -139.14 168.47 19.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.66 ' CG1' HD22 ' A' 1563 ' ' LEU . 10.1 mm -136.04 113.07 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.686 0.616 . . . . 0.0 112.428 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.624 ' HB2' ' O ' ' A' 1542 ' ' ALA . 20.1 m-85 -75.88 -45.95 32.81 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.626 ' O ' ' HA ' ' A' 1541 ' ' TYR . 55.4 tttm -123.05 124.23 42.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.142 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1569 ' ' THR . . . . . 0.757 HG22 ' H ' ' A' 1571 ' ' GLU . 26.9 m -51.66 141.27 16.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.59 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.648 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -80.04 1.23 80.7 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.834 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.757 ' H ' HG22 ' A' 1569 ' ' THR . 44.9 mt-10 58.8 9.74 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.579 ' HB3' ' HG3' ' A' 1605 ' ' GLU . . . -147.34 80.32 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' 1573 ' ' VAL . 21.3 t 46.05 45.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.372 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.648 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -104.31 134.38 47.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.672 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.567 ' HG2' ' HB3' ' A' 1578 ' ' SER . 11.2 pt-20 -167.06 152.85 7.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.405 ' CB ' ' HA ' ' A' 1565 ' ' ASP . 21.7 ptmt -56.09 128.75 36.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' 1563 ' ' LEU . 12.7 t70 69.14 41.19 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.234 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.567 ' HB3' ' HG2' ' A' 1575 ' ' GLU . 85.3 p -104.04 -165.29 1.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.63 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -112.23 138.23 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.638 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.672 HD13 ' HE1' ' A' 1582 ' ' PHE . 32.6 pt -139.24 152.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.391 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 35.6 m -146.39 118.7 8.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.672 ' HE1' HD13 ' A' 1580 ' ' ILE . 92.7 m-85 -108.67 117.7 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.829 HG23 ' HG3' ' A' 1558 ' ' LYS . 50.9 pt -100.28 147.52 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.743 ' HB3' ' HZ2' ' A' 1584 ' ' LYS . 6.3 ttpm? -131.17 155.05 47.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.763 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' 1586 ' ' VAL . 50.6 mtpt -92.0 22.09 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1586 ' ' VAL . . . . . 0.73 ' HA ' ' HE2' ' A' 1584 ' ' LYS . 2.3 m 48.68 18.42 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.976 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1587 ' ' THR . . . . . 0.522 HG23 ' O ' ' A' 1585 ' ' LYS . 47.2 p -93.52 -31.51 14.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.344 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.643 ' HB2' ' HD2' ' A' 1584 ' ' LYS . 73.6 m -62.91 153.34 33.77 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.225 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 59.0 m -128.52 -28.32 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.055 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 7.0 t30 -88.89 -28.78 20.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.512 ' HB1' ' HA3' ' A' 1515 ' ' GLY . . . -77.72 106.06 9.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.195 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -134.44 120.28 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.7 mt -98.48 170.63 8.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 78.6 t -132.09 133.09 60.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -67.72 132.58 47.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 64.64 75.62 0.37 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.706 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.535 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 31.4 ttm180 -169.91 143.1 2.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.617 HE21 ' HD3' ' A' 1544 ' ' LYS . 28.9 mt-30 -83.52 122.29 28.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.386 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.535 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 57.6 m-85 -128.18 142.9 51.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.367 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' 1543 ' ' TYR . 26.2 tp -80.69 125.48 30.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.659 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.553 HD13 HG22 ' A' 1545 ' ' VAL . 30.4 mt -127.47 134.34 65.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.469 0.652 . . . . 0.0 112.532 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.788 ' HE3' ' HB3' ' A' 1534 ' ' ALA . 79.1 mtp -140.57 93.36 2.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.337 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . -133.36 157.63 22.81 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.451 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.486 ' HZ2' HD12 ' A' 1624 ' ' LEU . 0.0 OUTLIER -64.0 -174.84 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.04 0.448 . . . . 0.0 111.876 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.579 ' HG3' ' HB3' ' A' 1572 ' ' ALA . 35.6 tt0 -69.1 157.93 35.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.011 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.448 ' C ' HD23 ' A' 1607 ' ' LEU . . . -75.03 -177.86 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' 1607 ' ' LEU . 3.0 mm? -120.99 123.92 43.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.47 179.627 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.669 0.271 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.473 HD12 HD13 ' A' 1583 ' ' ILE . 44.0 pt -60.72 141.83 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.709 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.531 ' O ' ' HA ' ' A' 1582 ' ' PHE . 57.1 m-85 -90.44 132.16 36.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.179 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.32 -165.06 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.627 2.218 . . . . 0.0 112.223 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' 1584 ' ' LYS . 53.0 tp -152.65 101.34 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.52 ' O ' ' HA2' ' A' 1515 ' ' GLY . 10.0 m-20 -130.55 -170.0 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 62.6 p -74.0 -30.5 62.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.785 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.503 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.5 pt? -66.14 -13.74 60.66 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 110.82 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.426 ' HG1' ' H ' ' A' 1622 ' ' ASP . 73.0 m -68.94 115.39 8.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.555 ' HB3' ' HB2' ' A' 1602 ' ' MET . 62.5 t-105 -83.68 113.8 21.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.546 ' HA ' ' O ' ' A' 1600 ' ' LEU . 68.0 mt -131.13 129.83 63.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -148.95 118.67 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.443 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 74.9 t80 -50.46 138.0 18.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.431 ' CZ3' HD22 ' A' 1646 ' ' LEU . 9.9 t-105 -106.19 117.02 58.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.99 114.67 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.684 2.256 . . . . 0.0 112.618 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -60.42 -33.12 72.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -134.8 -169.28 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.022 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.689 HG23 HD13 ' A' 1643 ' ' LEU . 69.8 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.256 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.644 ' HB2' ' HB ' ' A' 1634 ' ' THR . 33.9 tt0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.361 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.09 -21.76 61.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.299 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.437 ' O ' HD11 ' A' 1646 ' ' LEU . 34.4 t80 -84.03 -42.86 15.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.689 HD13 HG23 ' A' 1634 ' ' THR . 80.3 mt -73.88 3.03 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.21 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.62 -28.7 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.636 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -89.75 -39.36 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.566 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.519 HD12 HH22 ' A' 1530 ' ' ARG . 8.3 mp -70.61 -22.24 62.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.62 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.45 -45.64 91.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.18 -42.79 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.636 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.508 ' O ' HG22 ' A' 1653 ' ' ILE . 70.3 t80 -57.68 -35.71 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.812 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.66 -64.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.201 0.524 . . . . 0.0 111.463 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -69.73 -3.27 14.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.683 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -85.29 -72.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.515 HD12 ' HE3' ' A' 1531 ' ' LYS . 5.2 tp -57.43 -30.85 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 63.3 t80 -69.89 -53.59 17.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.6 tt -84.07 -68.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.639 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -60.81 -74.74 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.195 -179.684 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.47 ' HA2' HD13 ' A' 1653 ' ' ILE . . . 74.88 128.99 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.518 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.699 ' HB3' HD21 ' A' 1590 ' ' ASN . 4.5 p-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.839 0.352 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.502 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 19.2 p -110.38 29.54 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.296 0.57 . . . . 0.0 110.315 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.699 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 152.2 73.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.148 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -51.38 103.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.836 0.351 . . . . 0.0 110.949 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 64.9 mtt -83.31 146.32 28.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.11 158.03 36.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.642 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 45.6 mt-10 -61.81 149.99 38.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.74 134.22 34.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 95.5 mt 58.44 19.09 6.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.264 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.642 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 30.0 t70 -64.41 100.6 0.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.419 HD23 ' HD1' ' A' 1642 ' ' PHE . 64.3 mt -93.4 92.8 7.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.217 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.9 t -178.05 -8.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.051 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.22 143.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 81.2 p -83.96 -179.91 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -99.2 0.49 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -98.02 -19.83 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.008 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 56.1 m -76.08 -33.22 59.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.405 ' NH1' HD21 ' A' 1646 ' ' LEU . 4.6 ptp180 -95.85 14.38 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' 1531 ' ' LYS . 7.3 tmtm? -119.91 -52.41 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -59.81 -26.04 65.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.68 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 45.3 m -81.97 -24.05 35.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.75 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.562 ' HB3' ' HE2' ' A' 1602 ' ' MET . . . -64.43 -46.04 84.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1535 ' ' CYS . . . . . 0.712 ' HA ' ' HE2' ' A' 1568 ' ' LYS . 38.1 t -90.36 5.49 47.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.723 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.68 ' HE2' ' HA ' ' A' 1533 ' ' THR . 24.3 ttmm -61.07 138.76 94.31 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.769 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.76 -22.02 16.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.596 2.198 . . . . 0.0 112.416 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.466 ' HG3' ' HE3' ' A' 1604 ' ' LYS . 40.2 tt0 -83.01 -31.2 27.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.898 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -97.37 117.26 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.006 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -82.36 -51.42 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.375 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.891 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.1 p90 -115.43 155.48 27.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.401 0.62 . . . . 0.0 112.199 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -144.86 104.51 4.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.517 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.665 ' HB2' ' O ' ' A' 1565 ' ' ASP . 0.6 OUTLIER -155.27 -175.75 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.117 0.484 . . . . 0.0 112.231 -178.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.569 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 19.9 ptpt -119.05 139.38 51.83 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.641 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.898 HG13 ' HA ' ' A' 1563 ' ' LEU . 16.0 m -139.29 175.83 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.183 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.401 ' CB ' HD11 ' A' 1564 ' ' LEU . 11.2 t -146.02 124.28 12.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' 1561 ' ' ALA . 37.3 mm -62.8 144.89 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.684 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 82.3 p -131.55 -41.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.576 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 42.4 t -131.81 160.66 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.975 0.417 . . . . 0.0 111.329 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 73.0 mt -134.31 114.54 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.748 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1551 ' ' THR . . . . . 0.461 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 70.8 m -102.05 136.69 41.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.244 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 5.2 p -132.58 132.05 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.768 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -133.8 -54.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.976 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 7.4 p30 -145.22 -153.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.606 HG11 HG23 ' A' 1586 ' ' VAL . 52.4 t -53.54 -19.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.561 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.52 106.25 17.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 31.8 t -81.54 155.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.616 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.762 ' HG2' HG22 ' A' 1583 ' ' ILE . 90.7 mttt -131.29 152.79 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 111.01 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.516 ' HH ' ' HZ1' ' A' 1584 ' ' LYS . 94.9 m-85 -138.97 120.8 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.737 ' HB2' ' HZ3' ' A' 1560 ' ' LYS . 0.1 OUTLIER -97.18 106.81 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.226 179.52 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' 1547 ' ' ILE . . . -118.07 170.79 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 111.641 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 8.2 m -114.38 135.29 54.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.974 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.898 ' HA ' HG13 ' A' 1545 ' ' VAL . 9.7 tp -77.46 95.5 4.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.569 ' HB2' ' HG3' ' A' 1544 ' ' LYS . 9.4 mp -50.72 -50.76 54.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.565 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.665 ' O ' ' HB2' ' A' 1543 ' ' TYR . 12.8 t70 -164.58 154.77 14.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.871 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.743 HG12 HD21 ' A' 1563 ' ' LEU . 48.6 mt -104.88 125.93 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.526 ' HB2' ' O ' ' A' 1542 ' ' ALA . 83.7 m-85 -104.69 -23.62 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' A' 1535 ' ' CYS . 27.5 mtpp -149.49 122.67 8.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.437 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1569 ' ' THR . . . . . 0.559 HG23 ' H ' ' A' 1571 ' ' GLU . 4.5 m -45.96 155.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.127 0.489 . . . . 0.0 112.062 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.891 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -103.81 6.17 47.87 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.011 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.559 ' H ' HG23 ' A' 1569 ' ' THR . 14.0 mm-40 59.2 7.79 0.95 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.978 0.418 . . . . 0.0 110.737 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.423 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -138.76 81.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.542 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.447 ' O ' HG21 ' A' 1573 ' ' VAL . 7.3 p 41.17 39.93 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.847 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.554 ' HB3' HD11 ' A' 1566 ' ' ILE . . . -59.01 128.61 38.1 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.222 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.52 ' HB3' ' OG ' ' A' 1578 ' ' SER . 9.1 tp10 -142.07 156.4 45.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.973 0.416 . . . . 0.0 111.339 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -67.72 122.83 18.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.416 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.654 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.1 t70 63.96 51.21 2.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.05 0.452 . . . . 0.0 110.782 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' 1563 ' ' LEU . 69.0 m -87.11 -170.22 2.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.599 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1579 ' ' GLU . . . . . 0.432 ' CD ' ' HD2' ' A' 1560 ' ' LYS . 9.0 tp10 -115.69 115.24 26.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.565 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.612 HD12 HG11 ' A' 1545 ' ' VAL . 37.4 pt -111.05 153.01 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.684 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.1 m -141.4 99.34 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.735 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.575 ' HE1' HD13 ' A' 1580 ' ' ILE . 56.9 m-85 -94.3 125.48 38.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 111.271 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.762 HG22 ' HG2' ' A' 1558 ' ' LYS . 42.0 pt -112.33 147.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.744 ' HB3' HD22 ' A' 1621 ' ' LEU . 21.8 pttm -145.72 -171.19 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -104.51 -177.03 3.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.643 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1586 ' ' VAL . . . . . 0.606 HG23 HG11 ' A' 1555 ' ' VAL . 29.1 m -105.18 9.58 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.1 p -98.66 -0.93 41.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 13.6 m -60.97 153.88 23.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 58.3 m -138.28 -29.9 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.699 HD21 ' HB3' ' A' 1513 ' ' ASP . 37.0 m-80 -108.8 0.43 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -121.42 111.92 17.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -149.94 105.54 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.758 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' 1593 ' ' LEU . 4.0 mp -91.13 158.83 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.458 HG13 ' OH ' ' A' 1599 ' ' TYR . 9.9 p -142.76 140.03 27.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 22.9 pttm -71.17 136.6 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 108.15 -22.64 26.88 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.678 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -99.37 169.83 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.977 0.418 . . . . 0.0 111.346 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -109.39 145.57 35.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.716 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.458 ' OH ' HG13 ' A' 1594 ' ' VAL . 98.1 m-85 -143.5 144.2 31.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.009 0.433 . . . . 0.0 111.415 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' 1601 ' ' ILE . 5.2 tt -95.12 134.68 37.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.746 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.611 ' N ' HD23 ' A' 1600 ' ' LEU . 69.3 mt -127.91 132.85 68.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.088 0.471 . . . . 0.0 112.19 -179.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.675 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 66.3 mtp -149.6 110.65 4.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.064 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.898 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.59 -164.27 31.24 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 119.803 -1.189 . . . . 0.0 113.681 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.466 ' HE3' ' HG3' ' A' 1538 ' ' GLU . 34.1 mmtp -46.25 157.09 0.14 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 122.545 0.338 . . . . 0.0 111.565 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -171.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.201 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.487 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . -104.65 140.34 38.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' 1617 ' ' TYR . 89.0 mt -66.41 147.73 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.606 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 -179.835 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' 1607 ' ' LEU . 2.3 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.814 0.34 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.487 ' O ' ' HB1' ' A' 1606 ' ' ALA . 2.8 pp -117.02 177.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' 1582 ' ' PHE . 57.1 m-85 -128.09 128.72 23.73 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.191 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.44 157.72 22.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.666 2.244 . . . . 0.0 112.166 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.744 HD22 ' HB3' ' A' 1584 ' ' LYS . 48.7 tp -132.7 92.76 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.669 ' HB2' HD13 ' A' 1624 ' ' LEU . 10.2 m-20 -121.7 -167.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1623 ' ' SER . . . . . 0.699 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 77.5 p -78.8 -23.16 45.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.849 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -76.13 -8.6 57.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 -179.746 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.628 ' N ' HD12 ' A' 1624 ' ' LEU . 60.5 m -84.24 112.36 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.187 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.675 ' HB3' ' HB2' ' A' 1602 ' ' MET . 57.9 t-105 -64.28 119.72 10.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.746 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.462 ' HA ' ' O ' ' A' 1600 ' ' LEU . 45.5 mm -126.81 120.58 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -134.95 115.27 13.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -54.05 134.23 43.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.745 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.424 ' CD1' HD12 ' A' 1643 ' ' LEU . 13.5 t-105 -106.03 101.77 35.74 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.647 ' HB2' HD13 ' A' 1643 ' ' LEU . 72.9 Cg_exo -48.7 118.86 3.69 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.679 2.252 . . . . 0.0 112.599 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -91.7 -0.1 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -97.94 128.49 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.312 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.795 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -58.33 -28.1 64.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.517 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 52.9 t80 -88.44 -30.84 19.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.759 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.756 HD11 HD13 ' A' 1646 ' ' LEU . 1.1 tp -75.91 -6.11 49.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -81.4 -33.45 32.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -80.2 -28.46 38.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.444 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.756 HD13 HD11 ' A' 1643 ' ' LEU . 95.9 mt -70.68 -31.02 67.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.527 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.16 -36.64 80.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.15 -49.4 77.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.604 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' 1653 ' ' ILE . 62.3 t80 -63.77 -34.96 79.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.765 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.97 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.208 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -103.69 -4.5 23.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.7 t70 -89.26 -18.21 27.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.96 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' 1649 ' ' PHE . 20.0 tt -112.01 -27.69 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.8 t80 -74.32 -46.02 43.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.453 ' O ' HD23 ' A' 1655 ' ' LEU . 5.9 tt -78.51 -45.54 21.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.553 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.639 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -85.63 -74.5 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.286 -179.478 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.01 158.84 21.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.437 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.889 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.726 0.298 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' 1588 ' ' CYS . 8.7 t 54.92 30.96 14.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.395 0.617 . . . . 0.0 110.287 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 123.84 55.93 0.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.048 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -52.47 132.19 34.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.869 0.366 . . . . 0.0 111.299 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' 1515 ' ' GLY . 66.3 mtt -128.96 133.5 47.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.82 150.25 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.29 172.48 2.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.08 119.25 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 90.3 mt 60.29 99.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.232 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.68 104.66 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.527 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.496 HD21 ' HD1' ' A' 1642 ' ' PHE . 65.6 mt -83.32 17.17 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 54.4 p -90.9 2.42 56.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.8 mt -123.87 138.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.0 m -89.64 167.71 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1527 ' ' ALA . . . . . 0.665 ' HA ' HH11 ' A' 1530 ' ' ARG . . . -70.22 -32.77 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.181 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.81 -2.79 58.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 91.8 m -74.71 -49.41 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.691 ' H ' ' HD2' ' A' 1530 ' ' ARG . 0.0 OUTLIER -83.02 -15.24 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.725 ' HE3' HD12 ' A' 1653 ' ' ILE . 21.2 tptm -68.32 -31.27 70.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -59.51 -15.48 18.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.684 HG22 HG13 ' A' 1539 ' ' ILE . 88.9 m -89.28 -41.55 12.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.926 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.857 ' HB2' ' HE2' ' A' 1602 ' ' MET . . . -67.6 -7.12 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.553 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 44.3 t -101.88 -17.27 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.113 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.668 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.9 mtmt -63.41 142.92 97.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.34 -30.4 87.61 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.599 2.2 . . . . 0.0 112.452 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.494 ' HG3' ' H ' ' A' 1539 ' ' ILE . 7.9 pt-20 -63.68 -55.72 21.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.684 HG13 HG22 ' A' 1533 ' ' THR . 41.5 mm -62.68 111.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.459 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -84.81 -58.35 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.483 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.407 ' HB2' ' CE2' ' A' 1543 ' ' TYR . 2.0 p90 -105.91 156.95 17.85 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.303 0.573 . . . . 0.0 112.107 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.66 101.11 2.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.821 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.631 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.1 p90 -152.55 169.73 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.139 0.495 . . . . 0.0 111.976 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.662 ' HG2' HD13 ' A' 1564 ' ' LEU . 37.6 ttpt -99.64 140.15 34.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.409 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.859 HG11 ' HA ' ' A' 1563 ' ' LEU . 18.8 m -136.56 -177.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.979 0.419 . . . . 0.0 111.547 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' 1564 ' ' LEU . 20.8 t -155.04 120.92 5.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.602 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.595 HD12 ' HB1' ' A' 1561 ' ' ALA . 35.2 mm -56.7 134.74 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1548 ' ' THR . . . . . 0.484 ' O ' ' HE2' ' A' 1595 ' ' LYS . 39.1 p -129.19 -16.95 3.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.507 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 63.8 m -154.01 144.78 22.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 0.0 111.36 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.0 mt -137.54 128.76 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.832 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 63.3 m -133.68 141.21 47.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.5 p -123.93 140.09 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -107.8 -74.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.7 m120 -142.97 -73.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 39.3 t -102.42 -45.77 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -89.36 158.55 17.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 44.7 t -128.55 140.1 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.271 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.67 ' HD3' HG21 ' A' 1583 ' ' ILE . 23.0 mmtp -104.88 124.27 49.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.795 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.457 ' HB2' ' O ' ' A' 1582 ' ' PHE . 96.3 m-85 -116.13 113.26 22.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.337 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.639 ' HZ2' ' HB3' ' A' 1579 ' ' GLU . 18.9 mmtt -93.4 99.91 12.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.595 ' HB1' HD12 ' A' 1547 ' ' ILE . . . -108.33 146.77 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.433 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 12.5 m -97.29 132.88 42.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.039 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.859 ' HA ' HG11 ' A' 1545 ' ' VAL . 10.4 tt -73.14 101.48 3.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.431 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.662 HD13 ' HG2' ' A' 1544 ' ' LYS . 83.8 mt -57.93 -44.05 86.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.168 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' 1543 ' ' TYR . 14.3 t70 -170.15 150.58 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.58 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.631 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 67.1 mt -97.2 138.16 22.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.567 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 43.7 m-85 -116.65 -20.13 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.0 tmtt? -155.55 99.79 2.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.252 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 89.5 m -40.84 141.81 0.54 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.301 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.685 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -90.34 132.65 11.39 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.012 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.64 -22.44 63.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.815 0.34 . . . . 0.0 110.955 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -73.18 -89.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.321 0.581 . . . . 0.0 110.798 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' 1573 ' ' VAL . 8.7 p -155.17 35.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.767 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.685 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -67.27 123.6 20.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' 1578 ' ' SER . 46.9 mt-10 -134.86 158.29 44.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 62.2 tttm -58.42 134.05 56.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.684 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.639 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.1 p30 44.88 36.26 1.82 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.603 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.512 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 79.0 p -82.65 -165.97 1.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1579 ' ' GLU . . . . . 0.639 ' HB3' ' HZ2' ' A' 1560 ' ' LYS . 42.6 mt-10 -121.41 122.92 40.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.792 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.722 HD12 HG12 ' A' 1545 ' ' VAL . 8.5 pt -125.73 136.9 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1581 ' ' THR . . . . . 0.56 ' HG1' ' HE2' ' A' 1560 ' ' LYS . 9.1 m -110.85 105.96 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.632 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.635 ' HB3' HD11 ' A' 1621 ' ' LEU . 35.8 m-85 -102.64 119.76 39.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.282 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.67 HG21 ' HD3' ' A' 1558 ' ' LYS . 29.4 pt -102.2 149.52 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.952 0.406 . . . . 0.0 111.466 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.521 ' HZ3' HD13 ' A' 1593 ' ' LEU . 36.6 ttpt -141.29 147.58 38.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.787 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.71 ' HZ3' ' HB2' ' A' 1585 ' ' LYS . 10.6 mtmp? -86.53 140.8 29.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.7 p -72.1 -7.12 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.023 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 75.8 p -76.84 -12.48 59.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.441 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' 1514 ' ' CYS . 56.6 m -66.85 178.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 0.0 111.015 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 74.9 m -145.8 -43.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 18.9 m120 -86.56 4.42 40.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -116.85 129.55 56.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1592 ' ' GLU . . . . . 0.438 ' HA ' ' NZ ' ' A' 1584 ' ' LYS . 40.9 tt0 -163.53 102.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.521 HD13 ' HZ3' ' A' 1584 ' ' LYS . 4.4 mp -88.43 164.41 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.505 HG12 ' OH ' ' A' 1599 ' ' TYR . 12.2 p -144.42 146.7 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.484 ' HE2' ' O ' ' A' 1548 ' ' THR . 57.9 tttm -80.58 134.78 35.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 104.99 -16.02 47.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.714 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.412 ' HB2' HG11 ' A' 1594 ' ' VAL . 10.9 mpt_? -99.48 172.7 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.969 0.414 . . . . 0.0 111.376 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -114.41 146.98 39.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.819 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.505 ' OH ' HG12 ' A' 1594 ' ' VAL . 96.8 m-85 -142.08 127.54 18.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.287 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' 1543 ' ' TYR . 56.9 tp -82.78 107.79 15.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.985 179.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.464 HG23 ' CZ ' ' A' 1582 ' ' PHE . 58.7 mt -95.2 132.96 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.266 0.555 . . . . 0.0 112.056 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.857 ' HE2' ' HB2' ' A' 1534 ' ' ALA . 61.8 mtp -147.55 107.98 4.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.802 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.582 ' HA2' HD13 ' A' 1539 ' ' ILE . . . -158.42 -174.85 28.66 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.116 -1.04 . . . . 0.0 113.523 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.434 ' HA ' ' H ' ' A' 1540 ' ' ALA . 12.5 mtmt -62.31 -172.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.114 0.483 . . . . 0.0 111.495 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -74.71 148.17 40.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.41 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -74.45 152.4 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.514 HD23 ' HD3' ' A' 1620 ' ' PRO . 3.9 mm? -63.78 -168.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 N--CA 1.447 -0.595 0 CA-C-O 121.169 0.509 . . . . 0.0 111.826 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.798 0.333 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 43.5 pt -106.64 177.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 14.6 m-85 -125.73 114.58 24.8 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.808 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1620 ' ' PRO . . . . . 0.514 ' HD3' HD23 ' A' 1607 ' ' LEU . 73.5 Cg_endo -75.54 167.08 27.28 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.665 2.244 . . . . 0.0 112.826 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' 1582 ' ' PHE . 82.6 mt -145.62 100.19 3.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.76 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -114.94 -76.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 73.1 p -169.18 -19.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' 1625 ' ' THR . 0.0 OUTLIER -73.96 -11.72 60.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.555 ' N ' HD12 ' A' 1624 ' ' LEU . 69.1 m -91.52 113.46 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -66.23 123.25 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 64.9 mt -124.45 126.84 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.792 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.36 113.21 10.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.862 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 74.8 t80 -55.22 134.71 49.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -104.6 106.83 56.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.607 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.669 ' HB2' HD13 ' A' 1643 ' ' LEU . 59.2 Cg_exo -51.88 109.88 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.527 2.151 . . . . 0.0 112.409 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -82.11 -30.97 30.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -72.51 114.37 10.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.569 ' HA ' HD21 ' A' 1643 ' ' LEU . 36.1 tt0 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.942 0.401 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -149.28 -33.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.756 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.496 ' HD1' HD21 ' A' 1523 ' ' LEU . 88.5 t80 -91.08 -20.78 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.679 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' 1631 ' ' PRO . 2.6 mm? -67.97 -35.79 78.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.65 75.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -74.92 -19.21 60.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.97 -33.42 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -60.84 -32.33 71.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.678 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -66.38 -32.07 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.415 ' O ' HG22 ' A' 1653 ' ' ILE . 80.8 t80 -69.71 -28.01 65.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -67.09 -49.02 66.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.318 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -80.05 -4.39 52.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.123 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.65 ' HA ' HD21 ' A' 1656 ' ' ASN . 18.5 t70 -95.58 -16.3 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.725 HD12 ' HE3' ' A' 1531 ' ' LYS . 6.9 tp -105.33 -28.81 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.035 0.445 . . . . 0.0 110.684 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.3 t80 -81.66 -44.3 17.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.29 -70.29 0.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.65 HD21 ' HA ' ' A' 1652 ' ' ASP . 17.3 m-80 -58.04 -59.35 5.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.513 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 60.14 42.31 98.5 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.384 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.224 -179.716 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' 1590 ' ' ASN . 3.7 p-10 . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 111.414 0.153 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.597 ' HB2' ' HA ' ' A' 1588 ' ' CYS . 12.0 t 53.73 -153.9 0.26 Allowed 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . -61.88 80.63 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.158 -1.02 . . . . 0.0 111.377 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' 1514 ' ' CYS . 3.5 pp0? -47.22 139.23 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 111.119 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.525 ' HG2' ' HB ' ' A' 1627 ' ' ILE . 63.9 mtt -124.38 141.84 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -81.94 171.21 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.34 176.06 1.96 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.97 -85.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 74.6 mt -105.98 99.76 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -147.94 96.68 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.598 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 36.1 mt -70.69 100.56 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 7.5 t -168.47 -21.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.9 mt -89.78 133.44 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.5 t -77.03 157.71 30.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.42 -14.8 58.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -87.44 -33.89 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 46.2 m -59.22 -25.19 63.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.476 ' O ' ' HE2' ' A' 1602 ' ' MET . 84.5 mtt180 -91.08 -41.09 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.544 ' O ' ' HD3' ' A' 1531 ' ' LYS . 11.8 tmtt? -61.87 -37.84 86.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.066 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' 1528 ' ' GLU . 30.3 mm-40 -58.97 -17.84 28.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.781 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.688 ' HA ' ' HG3' ' A' 1536 ' ' LYS . 37.6 m -85.97 -26.84 25.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.623 ' HB3' ' HE3' ' A' 1602 ' ' MET . . . -70.75 1.82 4.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.454 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 39.5 t -126.91 -3.72 6.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.688 ' HG3' ' HA ' ' A' 1533 ' ' THR . 98.4 mttt -64.28 151.2 91.33 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.38 -27.65 47.2 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.54 2.16 . . . . 0.0 112.236 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.417 ' O ' HD13 ' A' 1539 ' ' ILE . 11.5 pt-20 -85.55 9.52 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.777 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.496 HD11 ' HA2' ' A' 1603 ' ' GLY . 34.8 mm -124.85 120.44 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -90.55 -61.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.726 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.911 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.6 p90 -108.28 159.71 16.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.282 0.563 . . . . 0.0 112.206 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.541 ' HA ' ' HG2' ' A' 1602 ' ' MET . . . -144.96 90.6 2.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.815 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.784 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.2 p90 -144.28 -171.85 3.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.257 0.551 . . . . 0.0 112.068 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -132.81 132.42 42.17 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.029 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.834 HG13 ' HA ' ' A' 1563 ' ' LEU . 20.9 m -127.86 -177.35 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.068 0.461 . . . . 0.0 111.724 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 22.5 t -141.77 123.64 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.483 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.42 HD13 HD11 ' A' 1593 ' ' LEU . 38.3 mm -61.3 135.83 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 44.2 p -132.42 -31.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.25 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.579 ' HA ' ' HE2' ' A' 1595 ' ' LYS . 73.4 m -140.73 141.34 34.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 72.4 mt -131.51 125.48 56.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.849 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.3 m -128.68 136.74 51.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.588 HG22 HG21 ' A' 1557 ' ' VAL . 38.2 t -118.12 128.73 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.051 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -90.71 -68.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1554 ' ' ASN . . . . . 0.489 ' ND2' HG21 ' A' 1555 ' ' VAL . 10.5 t30 -163.37 -71.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.874 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.489 HG21 ' ND2' ' A' 1554 ' ' ASN . 39.7 t -99.94 -43.01 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -101.73 112.25 24.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.796 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.588 HG21 HG22 ' A' 1552 ' ' VAL . 10.1 p -84.94 151.36 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.723 ' HB2' ' HZ2' ' A' 1558 ' ' LYS . 10.5 mtmp? -124.81 149.65 47.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.383 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -133.29 106.82 7.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.405 ' HG2' HG21 ' A' 1581 ' ' THR . 60.9 mttp -88.08 121.65 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -136.79 167.39 21.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.33 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.9 m -104.57 141.29 36.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.184 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.834 ' HA ' HG13 ' A' 1545 ' ' VAL . 10.4 mt -73.63 124.65 26.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.974 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' 1545 ' ' VAL . 10.8 mp -88.48 -35.68 16.88 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.315 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.5 t70 -174.29 130.46 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.784 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 68.5 mt -103.9 120.32 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.818 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -92.68 -25.57 18.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.353 0.597 . . . . 0.0 109.647 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 62.2 tttp -141.13 116.84 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.56 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 20.3 m -45.88 149.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 111.916 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.911 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -86.56 16.81 43.12 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.969 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 55.99 9.42 0.46 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.2 0.524 . . . . 0.0 110.26 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -136.4 -148.14 0.28 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.8 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' 1573 ' ' VAL . 7.7 p -77.96 34.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.206 0.527 . . . . 0.0 111.272 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.625 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -82.48 125.29 30.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.257 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.41 ' C ' HD11 ' A' 1566 ' ' ILE . 15.8 mm-40 -148.58 163.11 38.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.047 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 61.1 tttm -52.96 106.52 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.689 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.7 t70 64.83 82.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.833 ' H ' ' HB2' ' A' 1563 ' ' LEU . 54.8 m -129.18 -174.33 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.407 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -108.72 115.09 29.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 110.431 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.685 HD11 HG11 ' A' 1545 ' ' VAL . 8.9 pt -127.22 137.49 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.442 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1581 ' ' THR . . . . . 0.405 HG21 ' HG2' ' A' 1560 ' ' LYS . 35.1 m -115.42 113.62 23.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.072 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.457 ' HE1' HD13 ' A' 1580 ' ' ILE . 39.9 m-85 -87.65 174.15 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.692 HG21 ' HA ' ' A' 1620 ' ' PRO . 9.0 tt -153.95 107.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.785 ' HB2' HD12 ' A' 1621 ' ' LEU . 39.0 ttpt -96.15 148.78 22.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.448 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 75.9 mmtt -75.28 -177.77 3.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.7 p -99.31 -27.2 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 69.6 p -72.45 -10.99 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.597 ' HA ' ' HB2' ' A' 1514 ' ' CYS . 57.3 m -60.43 121.83 13.07 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1589 ' ' THR . . . . . 0.462 HG22 ' O ' ' A' 1589 ' ' THR . 8.8 m -121.23 7.1 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.403 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.62 ' HB3' ' O ' ' A' 1513 ' ' ASP . 2.9 t-20 -130.11 -21.73 2.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.178 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -89.07 122.45 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.286 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.59 142.61 23.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.42 HD11 HD13 ' A' 1547 ' ' ILE . 93.8 mt -132.56 163.49 28.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.739 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 59.2 t -132.41 140.04 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.834 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.3 ttmt -72.76 125.81 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 103.36 -5.53 48.89 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.734 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.739 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 90.8 mtt180 -101.0 173.11 6.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.058 0.456 . . . . 0.0 111.396 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -120.97 137.2 54.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.75 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -139.41 145.86 39.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.442 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' 1627 ' ' ILE . 51.5 tp -90.63 120.01 31.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.912 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.551 HG21 ' HE1' ' A' 1541 ' ' TYR . 61.7 mt -114.84 134.58 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.066 0.46 . . . . 0.0 112.015 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.623 ' HE3' ' HB3' ' A' 1534 ' ' ALA . 66.8 mtp -148.87 111.49 4.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.111 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.496 ' HA2' HD11 ' A' 1539 ' ' ILE . . . 178.47 -169.61 41.31 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.083 -1.056 . . . . 0.0 113.294 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.725 ' HB3' ' HZ3' ' A' 1604 ' ' LYS . 4.2 mmmp? -50.61 154.99 1.19 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.902 0.382 . . . . 0.0 111.551 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 13.6 pt-20 -78.3 -169.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.245 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.417 ' HB1' ' CE2' ' A' 1619 ' ' TYR . . . -85.12 156.77 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.084 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' 1617 ' ' TYR . 3.8 mm? -88.5 130.08 35.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.478 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 64.8 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.478 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 1.9 m-85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.735 0.302 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 1.7 mt -112.44 148.75 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 111.34 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.417 ' CE2' ' HB1' ' A' 1606 ' ' ALA . 53.7 m-85 -102.11 104.54 37.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.65 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1620 ' ' PRO . . . . . 0.692 ' HA ' HG21 ' A' 1583 ' ' ILE . 54.4 Cg_endo -68.12 171.54 12.41 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.495 2.13 . . . . 0.0 112.137 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.785 HD12 ' HB2' ' A' 1584 ' ' LYS . 94.7 mt -136.81 96.83 3.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.467 ' HB2' ' HG ' ' A' 1624 ' ' LEU . 10.0 m-20 -118.95 -178.99 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.584 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1623 ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' 1514 ' ' CYS . 56.0 p -61.82 -10.27 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' A' 1622 ' ' ASP . 2.2 pp -90.52 10.26 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.5 m -107.3 137.05 46.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.996 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.411 ' O ' ' HA ' ' A' 1601 ' ' ILE . 65.2 t-105 -103.9 115.44 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.525 ' HB ' ' HG2' ' A' 1517 ' ' MET . 68.7 mt -132.11 118.26 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -128.1 141.2 51.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.577 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 58.4 t80 -65.59 136.18 56.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -109.51 112.96 58.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.55 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.522 ' HB2' HD11 ' A' 1643 ' ' LEU . 55.3 Cg_exo -52.5 116.45 2.86 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.592 2.194 . . . . 0.0 112.316 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -84.75 -31.92 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.045 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.16 113.19 15.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.508 ' HB ' HE21 ' A' 1640 ' ' GLN . 68.6 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.821 ' HA ' HD23 ' A' 1643 ' ' LEU . 28.7 mt-30 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.874 0.368 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.18 -53.54 43.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 62.8 t80 -65.71 -31.48 72.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.821 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -69.81 -22.96 63.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.747 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.93 63.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.06 -23.28 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.57 -23.38 32.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.31 -40.63 96.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.6 -18.09 62.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.701 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.51 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 58.7 t80 -84.61 -39.6 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.072 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.18 13.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.413 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.17 -31.82 70.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.326 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.75 -68.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.447 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.522 HD12 ' HE2' ' A' 1531 ' ' LYS . 7.9 tp -55.97 -30.13 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.73 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 58.5 t80 -76.66 -48.82 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.931 0.396 . . . . 0.0 111.352 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.03 -67.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.107 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.645 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -61.41 -74.78 0.08 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.394 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 76.37 157.17 7.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.357 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1658 ' ' CYS . . . . . 0.541 ' HB2' ' HZ2' ' A' 1531 ' ' LYS . 49.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.609 0.243 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.463 ' O ' ' HB3' ' A' 1588 ' ' CYS . 3.6 p -48.06 120.8 3.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.388 . . . . 0.0 110.438 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 74.89 34.9 51.88 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.67 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.565 ' HG3' ' HA ' ' A' 1623 ' ' SER . 4.2 pp0? -54.32 160.14 1.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.19 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.43 ' HE3' ' HA ' ' A' 1591 ' ' ALA . 15.5 ptp -135.51 138.47 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -71.26 178.19 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.92 153.29 29.63 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1520 ' ' GLU . . . . . 0.482 ' HG3' ' HD2' ' A' 1629 ' ' TYR . 41.0 tt0 -71.61 -33.7 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 93.4 mt -147.7 105.21 3.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -142.66 129.52 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 90.3 mt -91.89 10.97 26.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 72.3 p -77.13 -9.52 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 65.4 mt -111.77 129.41 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.5 m -103.15 -178.19 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -85.42 0.18 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.9 mt-10 -105.31 -52.91 2.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 34.5 m -62.5 -19.5 63.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -95.13 -25.49 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.3 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.516 ' O ' ' HD3' ' A' 1531 ' ' LYS . 3.3 tmtp? -81.79 -45.3 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' 1528 ' ' GLU . 17.0 mm-40 -54.49 -26.17 29.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.784 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.782 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 91.8 m -81.54 -33.17 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -69.69 -9.87 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.2 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 50.7 t -98.43 -25.31 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.782 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.3 mtmt -63.1 155.14 74.7 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1537 ' ' PRO . . . . . 0.462 ' HG2' ' OE1' ' A' 1538 ' ' GLU . 29.0 Cg_endo -63.2 -12.26 29.32 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.483 2.122 . . . . 0.0 112.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.462 ' OE1' ' HG2' ' A' 1537 ' ' PRO . 0.3 OUTLIER -69.27 -22.87 63.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.451 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.584 HG23 ' HG2' ' A' 1602 ' ' MET . 13.4 mm -118.84 111.39 33.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.416 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -79.3 -53.28 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.001 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.459 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 3.3 p90 -116.76 155.86 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 111.589 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1542 ' ' ALA . . . . . . . . . . . . . . . -145.82 100.58 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.086 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.736 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 12.6 p90 -150.84 -179.07 6.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.293 0.568 . . . . 0.0 112.013 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' 1564 ' ' LEU . 60.2 tttm -123.08 136.95 55.02 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.484 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.796 HG11 ' HA ' ' A' 1563 ' ' LEU . 11.6 m -132.56 -175.91 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 18.0 t -145.5 127.86 15.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.5 mm -66.6 137.6 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1548 ' ' THR . . . . . 0.519 HG21 ' HA ' ' A' 1561 ' ' ALA . 4.2 t -130.38 -18.02 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.465 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.802 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 49.5 m -152.04 144.34 24.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.52 HG13 ' HB3' ' A' 1595 ' ' LYS . 77.3 mt -131.25 138.15 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.2 m -135.38 109.03 7.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 33.7 t -95.77 122.68 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1553 ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' 1556 ' ' PHE . 38.7 tt0 -106.62 163.49 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -58.3 -18.52 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.331 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 71.8 t -126.41 -76.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.415 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.439 ' O ' ' HB3' ' A' 1553 ' ' GLU . 97.0 m-85 -82.73 178.19 8.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.348 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.527 ' HB ' ' HG2' ' A' 1584 ' ' LYS . 11.8 t -136.59 111.66 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' 1558 ' ' LYS . 0.8 OUTLIER -90.42 124.11 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.674 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.484 ' HE2' ' HE3' ' A' 1584 ' ' LYS . 37.3 m-85 -114.41 114.76 26.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.89 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.802 ' HB3' ' HB2' ' A' 1549 ' ' SER . 42.6 tptt -97.98 115.53 28.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.428 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.519 ' HA ' HG21 ' A' 1548 ' ' THR . . . -135.62 165.79 24.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 0.0 111.541 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -114.87 135.52 54.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.852 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.796 ' HA ' HG11 ' A' 1545 ' ' VAL . 6.3 tt -70.25 134.5 48.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' 1545 ' ' VAL . 8.9 mp -91.8 -50.55 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.788 0.328 . . . . 0.0 110.813 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.3 t70 -164.61 141.22 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.644 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.736 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.0 mt -99.18 121.99 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 111.922 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.612 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 95.5 m-85 -93.74 -19.68 20.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.558 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -149.72 110.21 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.685 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 88.2 m -43.69 145.51 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.1 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.736 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -103.84 135.17 12.26 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.311 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.79 -30.33 63.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.708 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -84.95 56.94 4.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.284 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' 1573 ' ' VAL . 7.4 p 38.68 75.27 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.689 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.736 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -93.72 137.04 33.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.583 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -139.98 143.68 36.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.695 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.37 129.02 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.725 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.716 ' HA ' ' O ' ' A' 1563 ' ' LEU . 16.3 t70 64.39 38.7 7.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.464 ' H ' ' HB3' ' A' 1563 ' ' LEU . 24.4 t -87.44 -167.25 1.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.473 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -110.74 129.94 55.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.654 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.723 HD13 ' HE1' ' A' 1582 ' ' PHE . 35.9 pt -128.26 145.02 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.581 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 21.9 m -137.27 100.91 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.826 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.723 ' HE1' HD13 ' A' 1580 ' ' ILE . 81.6 m-85 -93.2 121.01 34.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.021 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' 1557 ' ' VAL . 41.1 pt -112.27 144.71 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.578 ' HD3' ' HB2' ' A' 1588 ' ' CYS . 19.5 ptpt -141.88 -169.08 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.638 ' HZ2' ' HB2' ' A' 1585 ' ' LYS . 0.2 OUTLIER -109.2 176.92 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.687 179.537 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.1 p -78.01 -25.57 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.301 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.1 p -75.51 -8.84 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.39 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.578 ' HB2' ' HD3' ' A' 1584 ' ' LYS . 17.9 m -81.99 35.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.132 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 37.8 m -59.91 -22.43 62.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -54.76 -30.31 56.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.522 ' HB3' ' HZ3' ' A' 1584 ' ' LYS . . . -103.0 120.94 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.78 99.51 4.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' 1593 ' ' LEU . 3.9 mp -95.71 174.99 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.586 ' HB ' ' HD3' ' A' 1597 ' ' ARG . 49.1 t -133.4 136.4 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.52 ' HB3' HG13 ' A' 1550 ' ' ILE . 13.3 ptmm? -70.03 116.3 10.24 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 117.18 -8.07 16.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.586 ' HD3' ' HB ' ' A' 1594 ' ' VAL . 10.6 mpt_? -94.56 173.3 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.411 . . . . 0.0 111.18 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.571 ' HG3' HH21 ' A' 1632 ' ' ARG . 21.9 mt-30 -112.58 133.47 54.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.547 ' HH ' ' H ' ' A' 1594 ' ' VAL . 88.5 m-85 -133.54 149.97 51.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.364 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' 1601 ' ' ILE . 2.2 tm? -95.82 130.82 42.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.984 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.755 HD13 HG23 ' A' 1545 ' ' VAL . 2.2 mp -120.84 131.78 72.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.029 0.443 . . . . 0.0 111.354 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.584 ' HG2' HG23 ' A' 1539 ' ' ILE . 3.7 ttp -152.7 129.19 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.442 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.557 ' N ' HG21 ' A' 1539 ' ' ILE . . . 163.0 -168.93 38.0 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 119.937 -1.125 . . . . 0.0 113.494 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -53.87 154.85 3.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.853 0.358 . . . . 0.0 111.201 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.55 172.57 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -80.93 -177.57 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.32 -171.91 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.406 ' NE2' ' HH ' ' A' 1617 ' ' TYR . 7.0 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.423 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.406 ' HH ' ' NE2' ' A' 1608 ' ' GLN . 14.9 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.729 0.299 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 44.7 pt -135.26 142.79 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.533 ' O ' ' HA ' ' A' 1582 ' ' PHE . 49.3 m-85 -93.81 127.45 45.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.159 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -80.61 -177.66 3.91 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.619 2.213 . . . . 0.0 112.414 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.569 HD11 ' HE2' ' A' 1584 ' ' LYS . 74.1 mt -145.74 99.62 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.778 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -126.57 -171.63 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1623 ' ' SER . . . . . 0.565 ' HA ' ' HG3' ' A' 1516 ' ' GLN . 79.1 p -75.2 -5.28 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.5 pp -92.85 -31.69 14.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.685 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.448 ' O ' HG12 ' A' 1627 ' ' ILE . 39.0 m -58.1 98.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.028 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -61.79 109.93 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' 1625 ' ' THR . 49.6 mm -113.14 134.73 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.757 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.32 100.23 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.953 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.528 ' O ' ' HD3' ' A' 1631 ' ' PRO . 43.3 t80 -58.0 120.44 8.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -89.19 106.8 14.62 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.264 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.75 ' HB2' HD22 ' A' 1643 ' ' LEU . 52.1 Cg_exo -52.51 99.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.505 2.137 . . . . 0.0 112.528 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1632 ' ' ARG . . . . . 0.571 HH21 ' HG3' ' A' 1598 ' ' GLN . 28.0 ttm180 -62.26 -36.0 80.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.723 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.65 117.12 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.822 HG21 HD13 ' A' 1643 ' ' LEU . 30.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.561 ' HA ' HD11 ' A' 1643 ' ' LEU . 9.0 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.725 0.298 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.0 -62.19 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 80.6 t80 -73.98 -6.54 48.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.434 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.822 HD13 HG21 ' A' 1634 ' ' THR . 49.7 mt -95.65 5.29 51.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.843 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -103.31 -48.0 4.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -62.27 -30.17 70.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.736 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.13 -30.86 70.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.63 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.0 -30.95 71.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.61 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -80.16 3.08 21.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.737 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.43 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 83.4 t80 -118.06 -29.56 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.679 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -63.85 -65.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -72.15 -12.68 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.975 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.85 -70.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.499 HD12 ' HE3' ' A' 1531 ' ' LYS . 17.3 tt -62.94 -28.0 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.964 0.411 . . . . 0.0 110.834 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.3 t80 -63.95 -50.59 68.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.713 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.418 ' C ' HD21 ' A' 1655 ' ' LEU . 6.8 tt -83.82 -64.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.487 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -60.65 -74.67 0.07 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 71.65 136.81 0.18 Allowed Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.476 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.858 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' 1590 ' ' ASN . 9.0 m-20 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.51 0.195 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' 1516 ' ' GLN . 0.7 OUTLIER 54.33 -146.71 0.54 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.157 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.502 ' HA2' ' C ' ' A' 1622 ' ' ASP . . . -55.55 82.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.298 -0.953 . . . . 0.0 111.518 178.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' 1514 ' ' CYS . 64.3 tt0 -43.11 129.72 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.928 0.394 . . . . 0.0 111.586 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 26.2 mmt -120.34 141.04 50.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.847 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.83 153.82 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.65 147.88 50.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -84.12 149.08 26.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' 1631 ' ' PRO . 8.1 mp 54.56 29.95 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.338 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.91 74.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.88 91.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.227 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.3 t -176.37 -11.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.798 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.61 130.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 49.8 m -73.06 165.66 24.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -72.38 -10.59 59.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.9 mt-10 -107.35 -26.65 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 43.5 m -58.79 -24.83 62.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.714 HH22 HD22 ' A' 1646 ' ' LEU . 50.2 ttp180 -104.19 -34.12 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.66 ' HE3' HD11 ' A' 1653 ' ' ILE . 21.3 tptm -64.92 -34.41 78.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' 1528 ' ' GLU . 47.1 mt-30 -57.52 -17.35 13.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.054 0.454 . . . . 0.0 110.372 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.651 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 97.0 m -83.85 -42.35 16.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.687 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.753 ' HB1' ' HE1' ' A' 1602 ' ' MET . . . -66.23 -24.11 66.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.346 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 48.7 t -82.82 -5.45 58.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.049 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.651 ' HE2' ' HA ' ' A' 1533 ' ' THR . 52.2 mtmt -77.49 149.04 77.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.64 -9.96 27.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.562 2.175 . . . . 0.0 112.26 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.6 ' HB2' ' HZ3' ' A' 1604 ' ' LYS . 11.0 pt-20 -87.54 -3.51 58.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.488 HD11 ' HA2' ' A' 1603 ' ' GLY . 41.0 mm -117.14 102.85 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.407 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -74.03 -57.78 3.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.62 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.467 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -113.69 159.13 20.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.411 0.624 . . . . 0.0 112.105 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -151.85 104.01 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.676 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.737 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.4 OUTLIER -149.63 -177.6 5.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.147 0.499 . . . . 0.0 112.227 -178.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.556 ' HA ' HD23 ' A' 1600 ' ' LEU . 14.5 tmtt? -111.89 122.16 47.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.709 HG13 HD11 ' A' 1580 ' ' ILE . 37.7 t -119.58 170.77 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.939 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.589 ' N ' HG12 ' A' 1545 ' ' VAL . 20.8 t -150.05 119.12 6.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.386 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' 1561 ' ' ALA . 33.6 mm -56.28 141.62 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.025 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 34.7 p -129.65 -18.22 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.678 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 68.5 m -150.55 154.83 38.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.342 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.417 HG12 ' HB2' ' A' 1595 ' ' LYS . 42.1 mm -121.76 138.5 51.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.845 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 59.6 m -123.57 121.29 35.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.194 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 86.5 t -109.48 133.92 53.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1553 ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' 1556 ' ' PHE . 8.9 tp10 -141.28 7.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.537 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1554 ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' 1553 ' ' GLU . 33.4 m-80 70.24 -75.49 0.07 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.989 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 52.9 t -61.56 -67.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.98 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' 1553 ' ' GLU . 15.7 m-85 -109.7 102.86 11.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.003 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 62.1 t -84.37 137.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.79 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.612 ' HG2' HG23 ' A' 1583 ' ' ILE . 59.4 mttm -125.79 157.33 37.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.14 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' 1593 ' ' LEU . 95.1 m-85 -135.29 133.82 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' 1549 ' ' SER . 22.7 tptm -95.58 116.82 29.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.597 ' HB2' HD11 ' A' 1547 ' ' ILE . . . -122.49 152.76 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 111.557 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1562 ' ' THR . . . . . 0.561 ' C ' HG11 ' A' 1545 ' ' VAL . 2.4 m -115.66 117.08 29.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.833 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.764 HD22 HG12 ' A' 1566 ' ' ILE . 11.0 tp -66.49 103.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.164 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.533 ' HG ' ' NZ ' ' A' 1544 ' ' LYS . 4.4 mm? -63.91 -53.89 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.639 0.257 . . . . 0.0 111.59 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.53 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.9 t70 -149.47 154.1 38.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.153 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.764 HG12 HD22 ' A' 1563 ' ' LEU . 54.1 mt -103.38 138.5 27.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.005 0.431 . . . . 0.0 111.84 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.484 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 31.7 m-85 -113.76 -20.04 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.463 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 65.1 tttm -153.02 104.47 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.537 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 63.1 m -40.41 144.43 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.187 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.722 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -97.58 130.5 10.26 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.39 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -58.61 -27.3 64.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 110.664 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -90.83 41.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.528 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 69.2 t 57.53 92.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.257 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.722 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -116.5 128.11 55.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' 1563 ' ' LEU . 19.0 mm-40 -127.85 151.47 49.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.008 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -68.12 136.02 53.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.529 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.491 ' HA ' ' O ' ' A' 1563 ' ' LEU . 15.5 t70 63.0 24.41 14.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.054 0.454 . . . . 0.0 110.509 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 28.2 t -76.96 -167.99 0.97 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.523 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -120.09 127.08 52.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.466 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.709 HD11 HG13 ' A' 1545 ' ' VAL . 29.9 pt -136.2 144.09 34.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.969 0.414 . . . . 0.0 111.836 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 25.3 m -120.93 133.14 55.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.665 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.665 ' HE1' HD13 ' A' 1580 ' ' ILE . 29.6 m-85 -122.71 109.35 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.244 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.612 HG23 ' HG2' ' A' 1558 ' ' LYS . 34.7 pt -87.87 168.27 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.573 ' HB2' HD21 ' A' 1621 ' ' LEU . 5.5 tmmm? -169.91 144.36 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 111.136 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.528 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -83.65 133.74 34.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.931 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.9 p -57.95 -15.56 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.2 p -60.18 -14.49 17.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.433 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 63.5 m -62.12 159.14 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 56.2 p -139.79 1.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' 1513 ' ' ASP . 2.9 t-20 -135.04 -24.98 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -80.97 113.39 19.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -143.36 138.09 29.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.759 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' 1559 ' ' TYR . 87.9 mt -125.48 153.03 44.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.663 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 61.9 t -127.19 142.44 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.417 ' HB2' HG12 ' A' 1550 ' ' ILE . 39.3 ttpt -78.21 142.54 37.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.37 75.6 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.613 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.663 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 81.7 mtt180 -95.8 158.75 15.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.985 0.421 . . . . 0.0 111.367 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.53 ' HB3' ' HE2' ' A' 1544 ' ' LYS . 26.6 mt-30 -97.77 119.53 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.669 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -116.2 129.9 56.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.088 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.566 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 1.0 OUTLIER -86.61 131.49 34.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.38 178.783 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.562 ' N ' HD11 ' A' 1600 ' ' LEU . 76.4 mt -124.11 132.72 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.753 ' HE1' ' HB1' ' A' 1534 ' ' ALA . 69.2 mtp -149.16 113.08 5.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.986 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.488 ' HA2' HD11 ' A' 1539 ' ' ILE . . . -175.46 -158.17 18.61 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.645 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.6 ' HZ3' ' HB2' ' A' 1538 ' ' GLU . 47.3 mmtm -54.81 -177.36 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 111.842 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.454 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 10.1 pt-20 -99.58 55.82 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.178 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.445 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . 58.09 -175.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.382 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.421 ' HG ' ' HG3' ' A' 1620 ' ' PRO . 98.5 mt -121.24 94.6 4.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.549 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 45.1 mt-30 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.12 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.465 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 35.3 m-85 . . . . . 0 CA--C 1.528 0.115 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 28.2 pt -55.97 143.71 8.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' 1582 ' ' PHE . 30.1 m-85 -94.79 131.86 29.66 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.197 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1620 ' ' PRO . . . . . 0.421 ' HG3' ' HG ' ' A' 1607 ' ' LEU . 89.3 Cg_endo -78.61 -168.71 0.65 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.693 2.262 . . . . 0.0 112.153 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.573 HD21 ' HB2' ' A' 1584 ' ' LYS . 43.9 tp -160.98 104.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.537 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 11.0 m-20 -135.41 -162.41 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1623 ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' 1514 ' ' CYS . 66.2 p -86.22 -24.63 25.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.716 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' 1625 ' ' THR . 1.8 pt? -67.08 -38.07 85.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.842 0.353 . . . . 0.0 111.004 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.611 ' H ' HD23 ' A' 1624 ' ' LEU . 35.2 m -70.2 119.86 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -66.06 130.37 43.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.07 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 67.9 mt -132.33 129.97 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.665 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.566 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 9.4 tp10 -128.93 154.2 46.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.977 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.537 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 62.5 t80 -98.19 135.24 40.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.777 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.453 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 2.6 t-105 -109.31 103.09 51.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.725 ' HB3' HD12 ' A' 1521 ' ' LEU . 8.7 Cg_endo -50.69 109.12 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.81 2.34 . . . . 0.0 112.247 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1632 ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' 1597 ' ' ARG . 85.0 mtm180 -56.18 -50.24 71.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.8 133.44 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.803 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 26.0 mm-40 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.676 0.274 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1641 ' ' ALA . . . . . 0.53 ' O ' HD22 ' A' 1643 ' ' LEU . . . 68.1 99.91 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.43 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.596 ' HB3' ' HG3' ' A' 1631 ' ' PRO . 56.4 t80 74.75 -29.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.816 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.803 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.0 mm? -70.4 -4.36 22.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -87.23 -30.17 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -83.46 -21.22 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.714 HD22 HH22 ' A' 1530 ' ' ARG . 97.8 mt -77.81 -30.58 51.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.89 -35.03 79.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.574 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.27 -24.05 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.755 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.428 ' O ' HG23 ' A' 1653 ' ' ILE . 89.4 t80 -91.86 -21.55 20.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.6 -67.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.357 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.01 -7.21 39.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.088 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -75.63 -70.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.706 HD12 ' HA2' ' A' 1657 ' ' GLY . 7.3 tp -61.03 -24.79 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 110.834 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 61.7 t80 -74.02 -55.05 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.034 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 40.5 tp -81.63 -63.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.607 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -64.26 -71.5 0.17 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.117 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.706 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 66.38 -176.38 18.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.563 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.522 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 9.8 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.592 0.234 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.463 ' O ' ' HB3' ' A' 1588 ' ' CYS . 39.7 t 48.18 84.96 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.55 -179.501 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . 93.31 46.73 3.21 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.843 -179.269 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -45.67 111.11 0.31 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.519 -0.34 . . . . 0.0 111.187 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 95.2 mmm -79.79 -178.69 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -129.92 150.68 51.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 148.03 12.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.023 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.46 117.34 25.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 97.1 mt 59.75 102.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.288 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.473 ' OD1' HG21 ' A' 1524 ' ' THR . 40.5 t0 -159.79 130.59 5.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.577 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 93.0 mt -89.05 15.12 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.488 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1524 ' ' THR . . . . . 0.473 HG21 ' OD1' ' A' 1522 ' ' ASP . 68.9 p -84.5 0.43 49.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.822 0.344 . . . . 0.0 111.058 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.48 131.36 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.7 p -93.66 178.88 5.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1527 ' ' ALA . . . . . 0.682 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -90.46 -7.55 52.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.2 mt-10 -95.44 -43.04 8.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.2 m -55.69 -35.5 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.558 HH22 HD23 ' A' 1646 ' ' LEU . 71.9 mtm180 -75.35 -33.13 61.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.629 ' HD2' ' HB2' ' A' 1534 ' ' ALA . 22.6 tptm -72.43 -28.96 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' 1528 ' ' GLU . 76.9 mt-30 -59.57 -18.64 42.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.782 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 77.7 m -100.19 -27.52 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.552 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.629 ' HB2' ' HD2' ' A' 1531 ' ' LYS . . . -68.01 -21.68 65.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.203 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.6 t -88.98 -7.42 56.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.012 -179.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.782 ' HE2' ' HA ' ' A' 1533 ' ' THR . 55.0 mtmt -85.96 150.86 53.75 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.797 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.15 -13.54 19.94 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.614 2.209 . . . . 0.0 112.566 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' 1604 ' ' LYS . 7.5 tp10 -68.87 -9.61 52.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.991 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.618 HG23 ' HG2' ' A' 1602 ' ' MET . 33.5 mm -121.29 145.71 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 -179.759 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.52 ' HB3' ' HG3' ' A' 1605 ' ' GLU . . . -122.15 -34.78 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.2 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.831 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.3 p90 -138.4 159.78 41.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.359 0.6 . . . . 0.0 112.075 -179.198 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -150.56 109.28 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.399 179.03 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.76 ' HB2' HD13 ' A' 1563 ' ' LEU . 0.7 OUTLIER -154.61 -179.54 8.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.891 0.376 . . . . 0.0 111.811 -178.469 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' 1563 ' ' LEU . 0.0 OUTLIER -117.78 129.43 55.68 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.252 0.549 . . . . 0.0 110.541 179.708 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' 1546 ' ' SER . 23.4 t -122.26 171.94 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.408 -178.548 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.585 ' N ' HG13 ' A' 1545 ' ' VAL . 22.9 t -144.56 115.36 7.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.18 178.603 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.597 HD11 ' HB3' ' A' 1561 ' ' ALA . 41.1 mm -55.38 143.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.304 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 73.6 p -135.83 -25.64 1.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.392 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.802 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 32.5 t -150.33 158.7 44.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.005 0.431 . . . . 0.0 111.28 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.2 mt -137.21 116.8 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.3 m -104.55 131.71 51.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 9.2 p -102.39 142.78 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1553 ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' 1554 ' ' ASN . 9.1 tp10 -143.36 165.05 28.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1554 ' ' ASN . . . . . 0.467 ' O ' ' HB ' ' A' 1555 ' ' VAL . 2.3 m-20 -75.02 121.62 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' 1554 ' ' ASN . 92.3 t 74.81 -38.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.478 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.418 ' H ' ' C ' ' A' 1554 ' ' ASN . 93.6 m-85 -111.48 -174.83 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 111.049 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 11.2 p -164.17 143.35 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.468 ' HG2' HD13 ' A' 1583 ' ' ILE . 87.8 mttt -124.57 142.26 51.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 -179.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.53 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 88.3 m-85 -124.08 126.11 45.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.736 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.802 ' HB2' ' HB3' ' A' 1549 ' ' SER . 75.7 mmtt -93.83 104.94 16.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.597 ' HB3' HD11 ' A' 1547 ' ' ILE . . . -121.92 141.77 50.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1562 ' ' THR . . . . . 0.508 ' C ' HG12 ' A' 1545 ' ' VAL . 5.3 m -97.52 118.01 33.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.76 HD13 ' HB2' ' A' 1543 ' ' TYR . 10.0 tp -68.65 104.43 1.98 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' 1562 ' ' THR . 4.4 mm? -68.13 -42.46 80.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -177.665 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.628 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 8.4 m-20 -150.94 155.42 39.07 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.171 -0.612 . . . . 0.0 112.39 -179.079 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.533 ' CD1' HD21 ' A' 1563 ' ' LEU . 8.9 mm -106.64 127.58 61.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.4 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.66 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 86.8 m-85 -112.41 -22.81 10.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.571 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.503 ' HB3' ' N ' ' A' 1542 ' ' ALA . 2.2 tmtp? -151.23 107.21 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.224 179.056 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1569 ' ' THR . . . . . 0.757 HG23 ' H ' ' A' 1571 ' ' GLU . 16.4 m -43.12 134.91 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.392 -178.656 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.831 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -81.94 1.21 87.22 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.445 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.757 ' H ' HG23 ' A' 1569 ' ' THR . 6.9 tp10 72.65 -41.51 0.51 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.609 0.364 . . . . 0.0 111.679 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.41 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -97.53 83.95 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.325 . . . . 0.0 110.85 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 94.4 t 46.57 81.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.332 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.466 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -103.7 134.75 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.58 179.562 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.815 ' HB3' ' HB3' ' A' 1578 ' ' SER . 9.9 tp10 -140.28 143.17 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 -179.616 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.628 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 14.5 ptmm? -80.73 44.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.491 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.553 ' HB3' ' O ' ' A' 1576 ' ' LYS . 3.9 p30 169.83 19.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.752 -179.456 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.815 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 47.5 p -73.97 -167.26 0.47 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.142 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -128.81 114.92 17.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.319 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.527 HD13 HG11 ' A' 1545 ' ' VAL . 19.0 pt -113.68 143.65 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.772 -179.48 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 2.6 m -116.27 125.55 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.644 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.53 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 12.2 m-85 -91.95 115.54 28.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.14 0.495 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.803 HG13 HD13 ' A' 1618 ' ' ILE . 1.7 mm -98.01 123.95 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.455 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.772 ' HB2' HD13 ' A' 1621 ' ' LEU . 35.0 ttpt -144.19 162.09 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.978 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.504 ' N ' ' HG2' ' A' 1584 ' ' LYS . 95.9 mttt -103.92 -179.31 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 179.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1586 ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' 1555 ' ' VAL . 17.2 m -88.64 4.92 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.1 p -90.21 -42.95 10.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' 1584 ' ' LYS . 2.0 m -59.59 99.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.665 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 89.5 m -86.47 -32.62 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.352 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.522 ' OD1' ' HA ' ' A' 1513 ' ' ASP . 17.5 m120 -71.65 -45.25 62.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.328 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -63.19 112.28 2.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -136.84 150.85 48.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.792 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.72 166.83 22.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.514 ' N ' ' HH ' ' A' 1599 ' ' TYR . 94.1 t -137.75 135.27 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.007 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.45 ' HA ' ' CG2' ' A' 1547 ' ' ILE . 27.9 ttpp -68.92 141.77 54.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 61.91 55.46 28.19 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.413 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -156.55 133.24 10.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 110.935 -179.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -67.38 130.08 41.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.037 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.514 ' HH ' ' N ' ' A' 1594 ' ' VAL . 17.2 m-85 -128.68 121.02 27.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.555 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.674 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 53.7 tp -76.93 141.43 40.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.731 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.484 HG21 ' HE1' ' A' 1541 ' ' TYR . 62.5 mt -135.4 142.05 40.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.095 0.474 . . . . 0.0 111.788 -179.015 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.618 ' HG2' HG23 ' A' 1539 ' ' ILE . 31.3 ttp -159.91 109.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.146 179.626 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' 1539 ' ' ILE . . . -179.48 -177.82 48.02 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 119.903 -1.141 . . . . 0.0 113.709 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' 1538 ' ' GLU . 32.4 mmmt -52.91 161.17 0.82 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.974 0.416 . . . . 0.0 111.704 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.52 ' HG3' ' HB3' ' A' 1540 ' ' ALA . 39.0 mt-10 -64.52 -171.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.301 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -97.65 -170.47 2.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.049 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.76 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.105 179.872 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 13.4 m-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.803 HD13 HG13 ' A' 1583 ' ' ILE . 24.5 pt -114.12 128.33 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.617 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.471 ' CE1' HG23 ' A' 1580 ' ' ILE . 43.9 m-85 -84.76 116.06 63.59 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 -179.3 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.78 -177.41 3.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.71 2.273 . . . . 0.0 112.578 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.772 HD13 ' HB2' ' A' 1584 ' ' LYS . 92.7 mt -137.9 81.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.46 ' O ' ' HA2' ' A' 1515 ' ' GLY . 10.0 m-20 -99.99 179.14 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 72.9 p -63.65 -19.25 64.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.563 HD13 ' N ' ' A' 1625 ' ' THR . 1.4 pp -85.06 -14.85 45.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.042 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.563 ' N ' HD13 ' A' 1624 ' ' LEU . 48.9 m -70.17 98.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.577 ' HB3' ' HB3' ' A' 1602 ' ' MET . 58.8 t-105 -71.29 115.13 10.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.025 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.5 mt -122.35 124.87 71.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.626 179.63 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.674 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 10.3 tp10 -126.16 118.65 25.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.34 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 6.8 t80 -61.9 120.38 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -107.65 107.37 60.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.339 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -46.82 110.57 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.578 2.185 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -51.96 -31.08 27.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.197 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -115.1 144.91 42.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.845 HG23 HD13 ' A' 1643 ' ' LEU . 42.9 p . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.036 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.441 ' CB ' HD11 ' A' 1643 ' ' LEU . 4.7 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.69 0.281 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.68 80.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 84.7 t80 -64.9 -20.17 66.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.742 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.845 HD13 HG23 ' A' 1634 ' ' THR . 65.6 mt -76.42 2.22 14.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.121 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -94.77 -40.15 9.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.751 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -68.48 -20.41 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.558 HD23 HH22 ' A' 1530 ' ' ARG . 84.4 mt -73.52 -30.8 63.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.654 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.38 -36.08 81.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1648 ' ' GLU . . . . . 0.407 ' OE2' ' HB2' ' A' 1527 ' ' ALA . 40.4 tt0 -64.07 -36.89 85.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 179.801 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.682 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 90.0 t80 -87.81 -15.09 37.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.615 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -53.17 -59.4 4.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.648 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1651 ' ' GLU . . . . . 0.464 ' HG3' HD12 ' A' 1655 ' ' LEU . 1.9 tp10 -91.19 -6.81 52.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.613 -179.211 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 17.6 t70 -79.5 -17.95 53.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.834 0.349 . . . . 0.0 110.797 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.48 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.9 tp -98.01 -23.15 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.747 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 57.4 t80 -90.84 -50.24 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.573 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.464 HD12 ' HG3' ' A' 1651 ' ' GLU . 33.8 mt -84.76 -53.13 5.56 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.057 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.615 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -91.46 10.02 29.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.132 -179.567 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.404 ' HA2' ' NZ ' ' A' 1531 ' ' LYS . . . -51.93 145.4 15.75 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.859 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.972 179.925 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.813 0.34 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 63.2 m -97.0 32.71 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.184 0.516 . . . . 0.0 110.328 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 126.67 74.44 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.13 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -51.38 108.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.486 ' HE2' ' HB3' ' A' 1591 ' ' ALA . 26.4 mmt -56.82 120.61 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -64.03 176.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.429 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 2.1 mp0 -62.17 172.56 1.4 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -96.47 -85.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.433 ' HG ' ' CB ' ' A' 1642 ' ' PHE . 6.7 mp -103.37 103.06 13.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.228 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.429 ' OD1' ' HB3' ' A' 1519 ' ' GLU . 3.3 m-20 -142.38 106.88 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.546 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.498 HD22 ' HD1' ' A' 1642 ' ' PHE . 22.2 mt -72.02 1.93 6.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 71.1 p -73.99 -19.16 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.057 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 66.0 mt -99.52 136.81 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 53.5 m -90.46 178.72 6.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1527 ' ' ALA . . . . . 0.423 ' HB3' ' HB2' ' A' 1649 ' ' PHE . . . -92.61 -26.43 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' 1532 ' ' GLN . 14.7 mm-40 -77.73 -33.99 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 55.1 m -61.13 -31.93 71.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.532 HH22 HD13 ' A' 1646 ' ' LEU . 82.9 mtm180 -85.79 -35.38 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.523 ' O ' ' HD3' ' A' 1531 ' ' LYS . 12.4 tmtt? -62.5 -38.19 88.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' 1528 ' ' GLU . 80.2 mt-30 -58.31 -18.8 29.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.567 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.781 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 48.6 m -87.24 -26.24 23.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.838 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.436 ' HB1' ' HE1' ' A' 1602 ' ' MET . . . -59.35 -43.88 92.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.3 t -89.17 2.75 53.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.971 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.781 ' HE3' ' HA ' ' A' 1533 ' ' THR . 36.6 ttmt -61.31 140.67 94.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.595 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1537 ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' 1536 ' ' LYS . 11.6 Cg_endo -54.92 -44.27 51.29 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.727 2.285 . . . . 0.0 112.81 -179.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.417 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.7 pt-20 -69.3 -4.56 18.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.581 HG13 HG22 ' A' 1533 ' ' THR . 39.6 mm -112.87 120.95 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -88.21 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.731 -179.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.844 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.9 p90 -107.32 162.09 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.165 0.507 . . . . 0.0 112.037 -179.008 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' 1568 ' ' LYS . . . -149.1 97.64 2.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.174 179.301 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.697 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 3.7 p90 -150.07 170.67 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.092 0.472 . . . . 0.0 111.761 -179.395 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.502 ' HZ1' ' NE2' ' A' 1598 ' ' GLN . 60.6 tttm -106.22 135.14 48.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.454 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.795 HG11 ' HA ' ' A' 1563 ' ' LEU . 26.0 m -130.68 -175.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 111.378 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.791 ' HB2' HD13 ' A' 1564 ' ' LEU . 22.8 t -149.68 128.92 12.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.985 -179.781 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.524 HD12 HD21 ' A' 1593 ' ' LEU . 44.3 mm -67.54 143.0 15.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.663 179.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1548 ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' 1561 ' ' ALA . 6.5 t -137.23 -19.1 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.788 -179.685 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.873 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 32.3 t -154.2 156.5 37.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.025 0.44 . . . . 0.0 111.56 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.42 HG12 ' HD1' ' A' 1559 ' ' TYR . 79.8 mt -142.71 123.97 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.488 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 88.4 m -132.38 130.18 40.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.384 . . . . 0.0 111.395 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.483 HG22 HG22 ' A' 1557 ' ' VAL . 5.0 p -119.76 132.13 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.75 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -93.22 -86.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.134 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 16.1 m120 -136.38 -74.83 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.006 -179.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 89.6 t -95.24 -41.16 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -98.1 127.0 43.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.223 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.483 HG22 HG22 ' A' 1552 ' ' VAL . 47.6 t -96.26 146.01 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.513 179.503 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.8 ' HG2' HG21 ' A' 1583 ' ' ILE . 90.3 mttt -124.28 151.68 43.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 111.354 -179.436 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.42 ' HD1' HG12 ' A' 1550 ' ' ILE . 99.5 m-85 -134.51 119.69 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.746 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.873 ' HB3' ' HB3' ' A' 1549 ' ' SER . 47.1 tptt -93.98 110.92 22.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.405 ' HA ' HG23 ' A' 1548 ' ' THR . . . -127.24 164.68 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 111.403 -179.641 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -118.75 133.58 55.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.953 179.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.795 ' HA ' HG11 ' A' 1545 ' ' VAL . 6.0 tt -63.68 148.5 48.88 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' 1546 ' ' SER . 91.5 mt -108.3 -53.62 2.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.157 179.518 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' 1543 ' ' TYR . 10.6 m-20 -156.52 140.55 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.091 179.452 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.697 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 70.8 mt -98.88 126.36 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.428 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.667 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -102.42 -20.58 14.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.352 0.596 . . . . 0.0 109.41 178.644 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.526 ' HB3' ' HB1' ' A' 1542 ' ' ALA . 62.8 tttp -151.82 124.53 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.807 179.228 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1569 ' ' THR . . . . . 0.519 HG22 ' H ' ' A' 1571 ' ' GLU . 3.7 m -48.28 159.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.034 0.445 . . . . 0.0 111.812 -179.134 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.844 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -102.2 -0.2 50.93 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.014 -179.35 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.519 ' H ' HG22 ' A' 1569 ' ' THR . 44.4 mt-10 74.56 -44.44 0.55 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.74 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -88.29 46.35 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.978 0.418 . . . . 0.0 110.182 179.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 80.6 t 63.14 88.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.182 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.514 ' HB1' HD11 ' A' 1566 ' ' ILE . . . -98.36 129.29 45.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.39 179.429 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' 1578 ' ' SER . 18.4 mm-40 -125.68 142.8 51.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.264 -179.491 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.446 ' HE2' ' OD1' ' A' 1565 ' ' ASP . 60.4 tttm -59.5 139.67 56.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.963 179.21 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.77 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.3 p30 48.32 32.88 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 111.223 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.489 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 61.4 p -68.82 -166.01 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.668 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1579 ' ' GLU . . . . . 0.477 ' CD ' ' HE3' ' A' 1560 ' ' LYS . 9.6 tp10 -112.15 122.92 49.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.44 179.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.648 HD11 ' HE1' ' A' 1582 ' ' PHE . 39.6 pt -122.41 142.72 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 111.825 -179.46 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.9 m -135.7 110.13 8.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.471 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.648 ' HE1' HD11 ' A' 1580 ' ' ILE . 61.7 m-85 -101.23 127.42 47.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.503 -179.451 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.8 HG21 ' HG2' ' A' 1558 ' ' LYS . 48.6 pt -118.71 152.92 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.987 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.672 ' HB3' HD22 ' A' 1621 ' ' LEU . 22.3 pttp -148.4 176.83 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.509 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -89.94 -168.49 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.5 p -97.54 -21.86 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.6 p -68.15 -16.1 63.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.298 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.433 ' HB2' ' H ' ' A' 1589 ' ' THR . 2.7 m -58.94 -85.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1589 ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' 1588 ' ' CYS . 4.3 m 57.37 14.79 2.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.088 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -124.48 -29.55 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.486 ' HB3' ' HE2' ' A' 1517 ' ' MET . . . -103.17 98.64 8.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -135.74 119.4 17.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.524 HD21 HD12 ' A' 1547 ' ' ILE . 3.2 mp -98.02 119.36 36.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.486 HG11 ' OH ' ' A' 1599 ' ' TYR . 11.3 p -65.96 144.67 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.71 ' HZ2' ' HB3' ' A' 1595 ' ' LYS . 6.0 ttpm? -82.14 113.75 20.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 131.26 -28.24 3.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.669 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -90.34 172.74 8.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.937 0.398 . . . . 0.0 111.224 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.502 ' NE2' ' HZ1' ' A' 1544 ' ' LYS . 20.7 mt-30 -116.07 146.64 42.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.611 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.486 ' OH ' HG11 ' A' 1594 ' ' VAL . 96.4 m-85 -141.16 158.81 43.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.057 0.456 . . . . 0.0 111.551 -179.536 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 61.2 tp -106.28 123.92 48.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.989 179.226 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.525 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.5 mt -114.44 134.2 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.077 0.465 . . . . 0.0 112.02 -179.121 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.436 ' HE1' ' HB1' ' A' 1534 ' ' ALA . 66.0 mtp -147.27 112.68 5.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.073 179.702 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.511 ' HA2' HD13 ' A' 1539 ' ' ILE . . . 176.27 -166.46 37.52 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.097 -1.049 . . . . 0.0 113.52 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -48.67 151.33 1.18 Allowed 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.889 0.376 . . . . 0.0 111.447 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.46 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 0.0 OUTLIER -73.47 -173.53 1.44 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.075 -179.822 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.405 ' HB3' ' CE2' ' A' 1619 ' ' TYR . . . -84.72 148.18 26.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.071 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' 1607 ' ' LEU . 7.2 mp -89.28 115.93 27.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.489 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 38.7 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.489 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 2.9 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.668 0.271 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 46.7 pt -105.16 149.88 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' 1582 ' ' PHE . 52.5 m-85 -100.91 130.14 25.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.633 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -77.64 -167.23 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.587 2.191 . . . . 0.0 112.104 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' 1584 ' ' LYS . 49.6 tp -163.44 102.33 0.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.68 ' HB2' HD22 ' A' 1624 ' ' LEU . 9.5 m-20 -133.77 -164.48 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.802 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.2 p -80.41 10.83 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.709 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.68 HD22 ' HB2' ' A' 1622 ' ' ASP . 1.4 pt? -108.8 -2.68 18.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.343 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 58.7 m -85.7 129.27 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -95.31 112.26 24.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 69.5 mt -123.82 127.26 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.87 120.71 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.717 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.448 ' HA ' ' CD1' ' A' 1599 ' ' TYR . 15.7 t80 -61.37 114.86 3.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.484 ' CZ2' ' HB3' ' A' 1646 ' ' LEU . 3.2 t90 -105.78 97.46 15.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.034 179.451 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.412 ' HB2' HD23 ' A' 1643 ' ' LEU . 87.2 Cg_exo -44.42 103.48 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.778 2.318 . . . . 0.0 112.592 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -57.17 -24.46 54.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.73 126.77 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.559 HG22 HD11 ' A' 1643 ' ' LEU . 71.5 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.244 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.782 0.325 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -55.75 -29.66 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.269 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.498 ' HD1' HD22 ' A' 1523 ' ' LEU . 90.4 t80 -94.32 -33.6 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' 1646 ' ' LEU . 65.2 mt -65.15 -12.49 51.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.3 74.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -75.21 -29.54 60.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' 1643 ' ' LEU . 3.8 mm? -68.93 -28.39 66.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.85 -43.86 91.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.08 -25.34 68.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.459 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 84.5 t80 -87.27 -29.97 21.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -69.69 -23.14 63.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.279 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -98.14 -34.42 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.28 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.732 ' HA ' HD22 ' A' 1656 ' ' ASN . 14.3 t70 -53.6 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.549 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.674 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 8.5 tp -55.67 -26.17 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.614 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1654 ' ' PHE . . . . . 0.52 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 13.8 t80 -76.52 -32.29 58.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.479 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.52 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 93.2 mt -99.07 -74.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.907 0.385 . . . . 0.0 111.363 -178.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.732 HD22 ' HA ' ' A' 1652 ' ' ASP . 1.8 p30 -76.15 -55.52 5.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.417 -179.62 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.674 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 61.92 -158.53 33.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.903 179.993 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' 1590 ' ' ASN . 9.5 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.478 0.18 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' 1516 ' ' GLN . 97.7 m 59.43 -152.82 0.39 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.168 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -53.13 84.57 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.883 178.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' 1514 ' ' CYS . 29.5 tt0 -43.59 -31.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.43 0.292 . . . . 0.0 111.36 -179.508 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' 1516 ' ' GLN . 25.1 ptm 44.3 -162.96 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.598 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1518 ' ' GLN . . . . . 0.666 ' HA ' HE21 ' A' 1518 ' ' GLN . 0.0 OUTLIER -134.38 165.41 25.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.11 167.81 6.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.42 -80.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.07 105.72 17.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -136.82 105.46 5.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 73.2 mt -97.57 99.66 11.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.23 -179.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 10.1 t -176.25 -20.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.6 mt -90.09 118.83 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.7 p -80.16 171.79 14.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.08 -1.19 38.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -104.74 -36.47 7.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.7 m -64.06 -45.03 90.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.615 ' NH2' HD12 ' A' 1600 ' ' LEU . 16.1 ptm180 -78.82 -10.77 59.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.015 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.704 ' HE2' HD13 ' A' 1653 ' ' ILE . 27.4 tptp -86.03 -24.7 26.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' 1528 ' ' GLU . 84.8 mm-40 -59.26 -16.48 21.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.955 0.407 . . . . 0.0 110.655 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.803 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 50.9 m -90.88 -30.24 17.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.953 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' 1531 ' ' LYS . . . -68.5 -26.6 65.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.0 t -85.5 0.6 51.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.993 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.803 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.0 mtmt -90.65 142.23 27.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1537 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 32.4 Cg_exo -58.29 -24.93 70.2 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.61 -33.2 73.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.681 HG13 HG23 ' A' 1533 ' ' THR . 41.0 mm -99.05 106.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.68 -58.21 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.473 ' HE1' HG21 ' A' 1601 ' ' ILE . 2.0 p90 -108.17 163.09 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.325 0.583 . . . . 0.0 111.955 -179.231 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.8 121.16 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.222 179.25 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' 1565 ' ' ASP . 0.6 OUTLIER -170.2 -176.77 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.259 0.552 . . . . 0.0 112.264 -179.176 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -112.96 126.87 55.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.373 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' 1563 ' ' LEU . 17.4 m -121.01 -179.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.351 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.693 ' HB2' HD13 ' A' 1564 ' ' LEU . 21.7 t -152.28 125.71 8.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' 1561 ' ' ALA . 40.4 mm -66.71 143.46 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 70.7 p -131.43 -22.03 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.59 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.792 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 47.2 t -150.73 160.6 43.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.972 0.415 . . . . 0.0 111.232 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 83.4 mt -135.96 115.12 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1551 ' ' THR . . . . . 0.875 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 50.7 m -97.28 126.07 42.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.621 HG21 HG11 ' A' 1557 ' ' VAL . 93.4 t -125.52 128.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.995 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -115.69 -75.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -147.71 -69.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 30.7 t -104.94 -46.29 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -90.72 108.55 19.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.621 HG11 HG21 ' A' 1552 ' ' VAL . 61.8 t -92.92 108.55 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.714 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.875 ' HB2' ' HB ' ' A' 1551 ' ' THR . 34.1 mmtp -79.02 159.04 27.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.481 ' HH ' ' NZ ' ' A' 1584 ' ' LYS . 81.9 m-85 -140.51 121.46 14.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.792 ' HB3' ' HB3' ' A' 1549 ' ' SER . 24.4 tptm -94.17 123.72 37.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.477 ' HB3' HD13 ' A' 1547 ' ' ILE . . . -131.08 -179.9 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 111.674 -179.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 4.2 m -142.67 127.45 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.704 HD22 HG12 ' A' 1566 ' ' ILE . 14.3 tp -67.84 107.8 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.601 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' 1546 ' ' SER . 85.3 mt -63.41 -49.48 73.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.287 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' 1543 ' ' TYR . 18.4 t70 -158.74 149.32 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.704 HG12 HD22 ' A' 1563 ' ' LEU . 53.2 mt -87.97 139.82 16.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.153 0.501 . . . . 0.0 112.105 -179.349 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.524 ' HB2' ' O ' ' A' 1542 ' ' ALA . 17.6 m-85 -116.91 -20.94 9.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.022 178.105 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.502 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 63.0 tttp -162.34 108.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.415 179.5 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 91.3 m -41.39 142.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.344 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.72 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -95.45 132.43 11.09 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.163 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.36 -27.98 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.849 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -89.73 41.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.638 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 79.6 t 55.75 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.227 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.72 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.53 133.12 55.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.661 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.572 ' O ' HD23 ' A' 1563 ' ' LEU . 40.1 mt-10 -131.66 152.94 50.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.851 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.532 ' N ' HD13 ' A' 1566 ' ' ILE . 9.2 ptpp? -62.78 148.76 45.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.438 179.777 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.1 p30 47.55 29.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.337 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 32.5 t -79.6 -168.89 1.71 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.591 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -109.42 143.94 38.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.483 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.469 HD12 ' CE2' ' A' 1582 ' ' PHE . 4.1 pt -148.13 149.97 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 111.797 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 59.4 m -134.19 117.67 16.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.629 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.602 ' HA ' ' O ' ' A' 1619 ' ' TYR . 67.6 m-85 -108.7 123.42 48.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.343 0.592 . . . . 0.0 111.364 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.491 HG12 ' HD2' ' A' 1558 ' ' LYS . 33.7 mt -92.23 133.87 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.323 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.481 ' NZ ' ' HH ' ' A' 1559 ' ' TYR . 28.7 ttpt -134.61 142.59 46.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.31 179.291 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -90.09 159.33 16.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.5 p -69.11 -26.11 31.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.6 p -72.54 -13.89 61.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 67.0 m -65.55 112.75 3.75 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 52.3 m -110.59 -30.23 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' 1513 ' ' ASP . 17.3 m120 -86.37 -22.8 26.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -93.06 106.73 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.976 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -114.95 141.18 48.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.989 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.7 mt -138.63 119.91 14.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.521 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 58.5 t -104.34 138.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.715 ' HB3' ' HZ1' ' A' 1595 ' ' LYS . 5.9 ttpm? -79.68 121.18 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 106.67 -8.01 39.61 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.684 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.521 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 90.2 mtt180 -99.17 172.66 7.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.99 0.424 . . . . 0.0 111.4 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.541 ' HG2' HD13 ' A' 1564 ' ' LEU . 48.0 mt-30 -109.88 138.11 46.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.766 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.411 ' HH ' ' H ' ' A' 1594 ' ' VAL . 98.1 m-85 -142.18 129.91 21.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.342 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.615 HD12 ' NH2' ' A' 1530 ' ' ARG . 6.0 tt -80.29 139.64 36.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.61 ' N ' HD23 ' A' 1600 ' ' LEU . 86.2 mt -133.19 137.69 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.203 0.525 . . . . 0.0 112.178 -179.219 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.56 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 77.2 mtp -142.19 117.7 10.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.984 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.481 ' N ' HG23 ' A' 1539 ' ' ILE . . . -171.29 176.4 44.59 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.138 -1.03 . . . . 0.0 113.29 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.699 ' HZ2' HD13 ' A' 1624 ' ' LEU . 0.0 OUTLIER -61.54 177.44 0.39 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.944 0.402 . . . . 0.0 111.215 -179.795 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.849 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 12.0 pt-20 -70.38 176.12 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.465 ' HB1' ' CE2' ' A' 1619 ' ' TYR . . . -89.67 -171.72 3.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.8 mt -109.56 -171.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 20.3 pt20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 179.902 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.832 0.349 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 40.5 pt -103.09 161.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.602 ' O ' ' HA ' ' A' 1582 ' ' PHE . 24.4 m-85 -121.79 119.62 28.95 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.63 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -77.9 -173.57 1.87 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.29 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' 1584 ' ' LYS . 97.0 mt -144.59 94.2 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.711 179.663 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.499 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 9.8 m-20 -115.27 -174.3 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1623 ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' 1514 ' ' CYS . 78.7 p -68.92 -8.86 48.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.676 -179.456 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.699 HD13 ' HZ2' ' A' 1604 ' ' LYS . 1.1 pt? -98.02 -7.88 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.334 . . . . 0.0 110.994 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.2 m -77.33 111.44 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.56 ' HB3' ' HB2' ' A' 1602 ' ' MET . 62.6 t-105 -72.82 116.39 13.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' 1600 ' ' LEU . 70.0 mt -133.99 105.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -108.15 122.25 46.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.458 ' O ' ' HD3' ' A' 1631 ' ' PRO . 67.5 t80 -58.0 122.92 14.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -96.57 104.29 17.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.138 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.708 ' HB2' HD23 ' A' 1643 ' ' LEU . 87.4 Cg_exo -47.2 99.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.586 2.191 . . . . 0.0 112.519 -179.546 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1632 ' ' ARG . . . . . 0.51 ' O ' ' HD3' ' A' 1632 ' ' ARG . 3.7 tmt_? -61.37 -38.66 87.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.674 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.68 134.6 33.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.913 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.766 ' HA ' HD21 ' A' 1643 ' ' LEU . 20.6 pt20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -84.48 -29.44 26.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.523 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 58.5 t80 -68.33 -28.19 66.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.761 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.766 HD21 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -69.9 -28.87 65.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.73 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -80.17 -14.49 58.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.736 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.77 -26.18 21.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -61.38 -40.8 95.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1648 ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' 1652 ' ' ASP . 41.1 tt0 -66.69 -31.42 72.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.408 ' O ' HG21 ' A' 1653 ' ' ILE . 88.4 t80 -79.81 -25.27 40.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.792 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.37 -66.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.294 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -69.31 -4.24 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.143 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.598 ' HA ' HD22 ' A' 1656 ' ' ASN . 10.4 t70 -79.43 -74.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.704 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.5 tp -60.79 -29.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.203 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 54.4 t80 -70.83 -39.58 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.368 -179.655 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 2.3 tm? -105.17 -75.07 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.91 0.386 . . . . 0.0 111.072 -179.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.598 HD22 ' HA ' ' A' 1652 ' ' ASP . 3.7 p30 -81.72 28.26 0.42 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.574 -179.393 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -59.98 158.36 25.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.554 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.903 -179.989 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.577 0.227 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' 1588 ' ' CYS . 42.8 t 47.0 77.98 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.044 0.449 . . . . 0.0 110.221 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.659 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 103.52 40.65 2.33 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.595 -178.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.502 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 8.6 tt0 -49.3 112.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.288 -0.456 . . . . 0.0 111.179 -179.561 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' 1515 ' ' GLY . 86.5 mtp -102.41 178.93 4.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -101.89 161.28 13.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.0 -178.9 0.83 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -85.34 -87.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.083 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 60.6 mt -101.39 99.54 9.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.545 ' HB3' HG22 ' A' 1524 ' ' THR . 3.9 m-20 -147.58 102.1 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.585 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.28 8.35 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.974 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1524 ' ' THR . . . . . 0.545 HG22 ' HB3' ' A' 1522 ' ' ASP . 6.5 t -66.7 -26.43 67.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.463 HG13 HG21 ' A' 1524 ' ' THR . 66.2 mt -94.25 132.6 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.998 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.6 m -85.57 176.59 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.29 -31.15 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.6 mt-10 -78.94 -29.91 44.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 46.3 m -61.86 -26.19 67.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.493 HH22 HD13 ' A' 1646 ' ' LEU . 33.4 mtm180 -95.42 -34.86 11.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.712 ' HE3' HD12 ' A' 1653 ' ' ILE . 22.2 tptm -64.77 -39.28 93.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.452 ' O ' ' HG3' ' A' 1536 ' ' LYS . 49.9 mt-30 -59.25 -17.94 32.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.521 179.646 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.831 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 96.8 m -80.93 -40.95 23.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.798 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.491 ' HB3' ' SD ' ' A' 1602 ' ' MET . . . -63.39 -30.57 71.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.224 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 99.6 m -75.3 -23.14 57.3 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.831 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.9 mtmt -61.52 148.98 85.3 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.28 -11.33 31.81 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.536 2.157 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' 1539 ' ' ILE . 12.2 pt-20 -83.34 2.69 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' 1603 ' ' GLY . 41.3 mm -128.75 113.62 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.09 -62.15 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.464 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.529 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.6 p90 -104.46 159.04 16.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.733 -179.096 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.577 ' HB2' ' HB3' ' A' 1568 ' ' LYS . . . -149.75 98.82 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.236 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.714 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 6.8 p90 -148.29 176.82 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.072 0.463 . . . . 0.0 111.9 -179.208 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.402 ' HZ3' ' NE2' ' A' 1598 ' ' GLN . 83.3 tttt -115.09 133.58 55.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.418 179.65 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.803 HG12 ' HA ' ' A' 1563 ' ' LEU . 16.8 m -130.07 -173.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 111.377 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 11.2 t -152.14 126.98 9.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.779 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.464 HD12 HD12 ' A' 1593 ' ' LEU . 42.2 mm -59.52 145.78 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 69.9 p -132.38 -16.4 2.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.63 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.722 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 36.0 t -162.09 159.51 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 111.498 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -137.54 113.5 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.616 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1551 ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 60.4 m -100.79 137.36 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.321 -179.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 87.2 t -135.27 123.33 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.04 -81.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -149.73 -67.81 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.998 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' 1586 ' ' VAL . 66.2 t -105.38 -34.08 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.185 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -99.28 113.43 25.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.552 ' HB ' ' HG3' ' A' 1584 ' ' LYS . 47.9 t -91.92 147.86 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.628 179.769 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.816 ' HG2' HG21 ' A' 1583 ' ' ILE . 94.7 mttt -132.89 152.39 51.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.926 0.393 . . . . 0.0 111.346 -179.633 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.594 ' HE2' ' HD3' ' A' 1584 ' ' LYS . 98.9 m-85 -138.08 112.51 8.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.689 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.722 ' HB3' ' HB3' ' A' 1549 ' ' SER . 24.2 tptm -89.3 127.19 35.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.501 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.415 ' HB1' HD13 ' A' 1547 ' ' ILE . . . -141.05 160.1 40.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 111.615 -179.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -113.34 138.06 50.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.027 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.803 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.0 tt -71.45 139.73 49.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.624 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.599 ' N ' HD22 ' A' 1563 ' ' LEU . 9.2 mp -97.96 -56.46 2.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.969 0.414 . . . . 0.0 110.476 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.539 ' O ' ' HB2' ' A' 1543 ' ' TYR . 9.3 m-20 -154.51 148.05 25.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.269 179.722 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.714 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 62.5 mt -107.04 129.45 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 111.902 -179.637 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.506 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -102.45 -19.44 14.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.747 178.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.577 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 62.7 tttp -148.71 113.46 5.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.029 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 85.8 m -47.04 147.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.17 0.51 . . . . 0.0 111.759 -179.293 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.711 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.39 133.86 11.5 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.222 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.08 -27.24 63.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.742 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.808 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -91.1 40.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.427 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.4 t 56.2 89.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.227 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.711 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.38 128.56 54.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.707 179.573 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.421 ' O ' HD13 ' A' 1563 ' ' LEU . 19.8 mm-40 -128.07 144.63 51.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.912 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.606 ' HE3' ' HB ' ' A' 1566 ' ' ILE . 12.6 mptt -59.09 127.73 33.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.739 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.2 t70 64.65 42.23 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.061 0.458 . . . . 0.0 110.827 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.543 ' H ' ' HB3' ' A' 1563 ' ' LEU . 60.3 p -87.72 -165.84 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.762 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.69 134.85 54.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.771 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.67 HD11 ' HE1' ' A' 1582 ' ' PHE . 31.9 pt -139.23 140.53 37.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.493 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 37.9 m -132.9 120.7 21.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.77 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.67 ' HE1' HD11 ' A' 1580 ' ' ILE . 61.8 m-85 -109.72 118.93 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.123 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.816 HG21 ' HG2' ' A' 1558 ' ' LYS . 40.2 pt -105.6 169.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.594 ' HD3' ' HE2' ' A' 1559 ' ' TYR . 19.3 ptmt -170.01 -170.95 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 111.055 -179.615 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' 1585 ' ' LYS . 12.4 mptt -115.17 -175.61 2.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.654 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1586 ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' 1555 ' ' VAL . 28.3 m -95.84 15.8 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.9 p -108.55 -24.46 11.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.465 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' 1514 ' ' CYS . 8.0 m -69.75 88.7 0.54 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.91 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 21.9 m -93.56 69.19 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.502 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 22.3 t-20 -173.37 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.659 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -95.74 96.74 9.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.894 0.378 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -126.43 137.62 53.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.464 HD12 HD12 ' A' 1547 ' ' ILE . 85.7 mt -123.43 140.07 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 57.3 t -101.63 133.37 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.998 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.58 133.25 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 65.48 64.05 3.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.52 ' HE ' ' HE1' ' A' 1629 ' ' TYR . 32.6 ttt180 -157.36 145.05 18.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.684 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.402 ' NE2' ' HZ3' ' A' 1544 ' ' LYS . 22.3 mt-30 -82.71 137.45 34.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.988 0.423 . . . . 0.0 111.589 -179.349 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.511 ' OH ' ' HD3' ' A' 1597 ' ' ARG . 75.2 m-85 -146.25 139.95 26.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.849 179.761 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' 1627 ' ' ILE . 47.0 tp -85.6 136.67 33.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.38 179.518 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.529 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.4 mt -134.66 125.8 46.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.951 0.405 . . . . 0.0 111.933 -179.531 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.491 ' SD ' ' HB3' ' A' 1534 ' ' ALA . 41.9 mtm -143.38 114.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.875 179.174 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.524 ' N ' HG22 ' A' 1539 ' ' ILE . . . -170.86 179.39 42.82 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.11 -1.043 . . . . 0.0 113.324 -179.295 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' 1538 ' ' GLU . 13.6 mmmm -57.5 170.49 0.54 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.808 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 12.1 pt-20 -61.58 176.18 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.438 ' HB1' ' CE2' ' A' 1619 ' ' TYR . . . -92.87 -177.09 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.254 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.3 mt -81.97 -163.33 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.785 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.216 179.918 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 21.6 m-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.717 0.294 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 37.3 pt -103.15 162.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.016 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.438 ' CE2' ' HB1' ' A' 1606 ' ' ALA . 43.1 m-85 -112.84 138.31 22.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.64 -21.28 19.37 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.558 2.172 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1621 ' ' LEU . . . . . . . . . . . . . 61.3 tp 57.01 97.53 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -146.87 -167.56 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 65.7 p -59.67 -32.07 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.179 -179.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 47.9 tp -61.8 -27.96 69.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.837 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 30.6 m -77.65 106.36 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.196 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -76.02 103.6 6.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' 1600 ' ' LEU . 65.8 mt -116.52 134.21 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -134.48 145.03 48.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.52 ' HE1' ' HE ' ' A' 1597 ' ' ARG . 10.1 t80 -76.99 119.72 21.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.451 ' CE3' HD22 ' A' 1646 ' ' LEU . 2.4 t-105 -104.73 101.59 29.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.135 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.693 ' HB2' HD13 ' A' 1643 ' ' LEU . 80.7 Cg_exo -45.26 111.06 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.64 2.227 . . . . 0.0 112.392 -179.757 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1632 ' ' ARG . . . . . 0.508 ' HD2' ' HG3' ' A' 1597 ' ' ARG . 80.8 mtp180 -47.63 -37.05 11.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.366 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 7.7 t70 -146.67 176.92 9.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.763 ' HB ' ' HB3' ' A' 1640 ' ' GLN . 72.9 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.295 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.763 ' HB3' ' HB ' ' A' 1634 ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.789 0.328 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.55 -14.57 61.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.767 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' 1646 ' ' LEU . 54.3 t80 -90.95 -32.86 15.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.78 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.724 HD23 ' HA ' ' A' 1640 ' ' GLN . 3.0 mm? -72.01 -23.03 61.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.807 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.66 -20.1 60.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -87.03 -48.32 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.767 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.493 HD13 HH22 ' A' 1530 ' ' ARG . 9.9 mp -63.69 -27.07 68.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.69 -25.17 67.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.29 -35.04 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.658 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.448 ' O ' HG21 ' A' 1653 ' ' ILE . 82.6 t80 -72.92 -25.03 60.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.683 179.844 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.92 -63.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.288 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.39 -8.13 54.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -74.45 -69.24 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.76 HD13 ' HA2' ' A' 1657 ' ' GLY . 6.0 tp -62.07 -27.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.778 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.46 -53.81 12.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.275 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 40.6 tp -82.07 -63.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.624 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -64.71 -72.32 0.15 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.092 -179.793 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.76 ' HA2' HD13 ' A' 1653 ' ' ILE . . . 73.23 152.6 2.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.553 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.974 -179.983 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.465 ' HA ' ' CG ' ' A' 1590 ' ' ASN . 4.7 p-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.615 0.245 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.5 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 14.3 t -50.11 105.05 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.419 179.578 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 80.52 42.0 10.71 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.81 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -44.62 116.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.868 0.366 . . . . 0.0 111.247 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.591 ' HE3' HG23 ' A' 1627 ' ' ILE . 63.7 mtt -100.01 153.43 19.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1518 ' ' GLN . . . . . 0.647 ' HA ' HE21 ' A' 1518 ' ' GLN . 0.0 OUTLIER -91.74 177.93 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.9 147.86 51.91 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.65 -20.81 64.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 68.8 mt -149.41 99.91 2.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.809 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -133.33 105.32 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.739 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 64.6 mt -81.99 10.7 6.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.007 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 73.7 p -86.47 -40.9 14.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 74.5 mt -77.92 130.77 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 87.7 p -88.63 -173.76 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -87.38 1.59 52.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -117.77 -30.76 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 85.4 m -62.98 -37.28 86.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.268 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -98.18 -5.07 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.569 ' HZ3' ' HA ' ' A' 1653 ' ' ILE . 1.5 tmtp? -84.04 -31.06 25.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.678 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.7 mm-40 -54.03 -27.31 31.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.941 0.401 . . . . 0.0 110.443 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.633 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 89.3 m -74.17 -32.45 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.852 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -67.75 2.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.629 -179.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1535 ' ' CYS . . . . . 0.491 ' HA ' ' HZ3' ' A' 1568 ' ' LYS . 42.3 t -131.03 -11.97 3.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.659 0.266 . . . . 0.0 111.482 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.633 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.1 mtmt -60.04 153.73 54.17 Favored Pre-proline 0 C--N 1.332 -0.162 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.17 -28.78 73.53 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.678 2.252 . . . . 0.0 112.147 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.55 -12.34 61.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.614 HG13 HG22 ' A' 1533 ' ' THR . 40.7 mm -115.41 135.32 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.194 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -104.25 -67.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.342 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.519 ' HE1' HG23 ' A' 1601 ' ' ILE . 3.3 p90 -98.88 158.12 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.585 -179.297 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.574 ' HB1' ' HB3' ' A' 1568 ' ' LYS . . . -146.34 98.48 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.258 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.668 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 4.8 p90 -151.68 169.75 21.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.076 0.465 . . . . 0.0 111.942 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 83.1 tttt -102.31 138.04 39.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.702 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.904 HG13 ' HA ' ' A' 1563 ' ' LEU . 33.9 m -137.54 175.14 10.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.313 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.425 ' CB ' HD11 ' A' 1564 ' ' LEU . 11.3 t -142.11 142.04 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.806 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.455 HD13 ' HB2' ' A' 1561 ' ' ALA . 38.5 mm -84.77 137.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.624 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 34.5 p -130.84 -42.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.431 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.54 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 71.1 m -119.03 142.39 47.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.322 -179.377 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.8 129.34 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 60.4 m -136.72 139.1 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.615 HG21 HG13 ' A' 1557 ' ' VAL . 90.8 t -121.18 124.97 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 179.844 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -92.29 -82.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -149.74 -71.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 24.5 t -100.4 -32.03 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -108.8 113.0 25.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.615 HG13 HG21 ' A' 1552 ' ' VAL . 32.0 t -82.04 132.07 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.76 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.65 ' HA ' HG23 ' A' 1583 ' ' ILE . 32.6 mmtp -98.99 144.3 28.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.465 -179.319 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' 1582 ' ' PHE . 68.1 m-85 -140.46 122.06 15.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.792 179.424 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.54 ' HB2' ' HB2' ' A' 1549 ' ' SER . 14.4 mmmm -107.1 126.32 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.429 179.625 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.455 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -133.03 179.22 6.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.002 0.43 . . . . 0.0 111.652 -179.62 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 6.7 m -128.9 142.18 51.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.904 ' HA ' HG13 ' A' 1545 ' ' VAL . 1.0 OUTLIER -78.43 98.59 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' 1545 ' ' VAL . 8.0 mp -58.44 -44.04 89.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.663 0.268 . . . . 0.0 111.117 -179.767 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.3 t70 -171.7 143.89 1.76 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.722 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.668 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 63.2 mt -96.1 130.78 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.013 0.435 . . . . 0.0 112.054 -179.452 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.592 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 55.8 m-85 -107.98 -17.47 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.518 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.574 ' HB3' ' HB1' ' A' 1542 ' ' ALA . 86.7 tttt -157.38 113.45 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.799 179.093 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 37.5 m -46.19 147.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.168 0.509 . . . . 0.0 111.666 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.636 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -109.92 135.47 12.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.376 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.574 ' HB2' ' HG2' ' A' 1605 ' ' GLU . 38.6 mt-10 -62.5 -18.85 62.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.625 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.597 ' HB3' ' HB2' ' A' 1605 ' ' GLU . . . -86.6 42.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.509 179.479 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.2 t 53.18 73.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.725 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.636 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -89.52 147.9 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.63 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' 1563 ' ' LEU . 9.9 tp10 -154.81 137.59 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -49.24 117.56 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.6 t70 65.19 48.45 2.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.967 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.413 ' OG ' HD13 ' A' 1563 ' ' LEU . 60.0 p -88.65 -165.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.539 179.288 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -118.75 117.68 29.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.715 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.565 HD11 HG11 ' A' 1545 ' ' VAL . 28.0 pt -113.35 144.13 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.225 -179.723 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 2.9 m -127.05 100.86 6.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.256 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.632 ' HA ' ' O ' ' A' 1619 ' ' TYR . 50.3 m-85 -98.27 135.42 39.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.702 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.65 HG23 ' HA ' ' A' 1558 ' ' LYS . 35.6 pt -134.47 152.76 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 111.618 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.627 ' NZ ' ' HA ' ' A' 1586 ' ' VAL . 7.9 ptmm? -126.91 170.89 11.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.035 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.499 ' O ' HG11 ' A' 1586 ' ' VAL . 97.7 mttt -93.67 31.05 1.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.113 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1586 ' ' VAL . . . . . 0.627 ' HA ' ' NZ ' ' A' 1584 ' ' LYS . 4.3 p 46.69 20.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.872 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1587 ' ' THR . . . . . 0.484 HG22 ' O ' ' A' 1585 ' ' LYS . 41.7 p -121.44 -24.14 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.129 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.5 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 13.2 m -60.38 111.82 1.71 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.774 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 78.3 m -95.43 -33.12 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.555 ' N ' HD21 ' A' 1590 ' ' ASN . 0.9 OUTLIER -79.47 7.0 8.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.185 -179.742 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.434 ' HA ' ' HE2' ' A' 1517 ' ' MET . . . -137.08 109.4 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.16 108.68 8.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 89.6 mt -93.37 141.01 28.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 8.3 p -138.18 140.41 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.058 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.465 ' O ' ' HD3' ' A' 1595 ' ' LYS . 0.0 OUTLIER -67.81 155.2 39.87 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 93.13 -31.31 6.39 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.598 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -95.28 171.84 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 111.322 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -121.82 143.75 49.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -140.56 141.95 35.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.354 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' 1627 ' ' ILE . 57.6 tp -90.06 127.16 36.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.829 179.134 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.519 HG23 ' HE1' ' A' 1541 ' ' TYR . 73.4 mt -122.53 131.54 73.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.174 0.512 . . . . 0.0 112.304 -179.012 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.446 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 31.0 mtm -145.01 115.9 7.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.567 179.006 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.525 ' HA2' HD11 ' A' 1539 ' ' ILE . . . -175.72 -171.73 39.88 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 119.872 -1.156 . . . . 0.0 113.784 -179.255 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -46.89 158.81 0.12 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.94 0.4 . . . . 0.0 111.601 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.597 ' HB2' ' HB3' ' A' 1572 ' ' ALA . 0.0 OUTLIER -81.47 43.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.622 -179.527 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' 1618 ' ' ILE . . . 50.19 -165.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.097 0.475 . . . . 0.0 111.614 179.449 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.479 HD11 ' N ' ' A' 1607 ' ' LEU . 6.4 mp -94.48 171.23 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.25 179.438 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.95 -179.99 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.753 0.311 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' 1606 ' ' ALA . 47.3 pt -136.02 132.77 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.372 178.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.632 ' O ' ' HA ' ' A' 1582 ' ' PHE . 9.3 m-85 -80.09 120.62 80.26 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.395 -178.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -85.55 -168.74 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.834 2.356 . . . . 0.0 112.441 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' 1584 ' ' LYS . 82.3 mt -144.91 103.98 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -129.55 179.0 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.4 p -69.12 -16.19 63.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' 1625 ' ' THR . 1.9 pp -85.7 -10.31 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.097 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.47 ' N ' HD12 ' A' 1624 ' ' LEU . 62.4 m -78.05 110.14 12.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.018 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.459 ' O ' ' HA ' ' A' 1601 ' ' ILE . 68.6 t-105 -74.54 113.43 11.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.591 HG23 ' HE3' ' A' 1517 ' ' MET . 67.7 mt -131.19 109.29 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.91 120.28 34.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.442 ' O ' ' HD3' ' A' 1631 ' ' PRO . 87.6 t80 -57.96 128.15 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -94.02 107.04 25.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.346 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.518 ' HB2' HD22 ' A' 1643 ' ' LEU . 75.4 Cg_exo -50.14 113.91 1.2 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.586 2.19 . . . . 0.0 112.546 -179.691 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -79.68 -28.87 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.712 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.71 127.83 32.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.467 HG23 ' HG ' ' A' 1643 ' ' LEU . 77.1 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.725 ' HA ' HD23 ' A' 1643 ' ' LEU . 29.6 pt20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.1 -27.77 68.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 65.5 t80 -75.29 -38.05 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.761 ' HA ' HD21 ' A' 1646 ' ' LEU . 2.8 mm? -65.4 -16.63 63.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.47 -21.22 65.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -84.82 -33.34 22.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.761 HD21 ' HA ' ' A' 1643 ' ' LEU . 3.5 mm? -64.65 -32.51 74.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.64 -42.95 99.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.56 -35.74 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.476 ' O ' HG21 ' A' 1653 ' ' ILE . 87.7 t80 -66.69 -31.66 72.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -71.39 -21.7 61.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.398 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -110.26 -3.91 15.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.171 -179.441 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.669 ' HA ' HD21 ' A' 1656 ' ' ASN . 17.1 t70 -91.24 -70.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.569 ' HA ' ' HZ3' ' A' 1531 ' ' LYS . 0.0 OUTLIER -57.76 -28.34 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 62.4 t80 -75.44 -52.67 10.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.419 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.8 tt -84.15 -69.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.392 . . . . 0.0 110.826 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.669 HD21 ' HA ' ' A' 1652 ' ' ASP . 27.6 m-80 -54.18 -77.29 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.31 -179.683 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 69.65 151.82 0.59 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.518 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.017 -179.944 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.733 0.301 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' 1591 ' ' ALA . 16.1 t -49.73 134.92 19.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.6 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 83.21 -51.77 4.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.26 -179.754 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' 1515 ' ' GLY . 23.9 tp60 72.21 -63.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.766 0.426 . . . . 0.0 111.44 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' 1517 ' ' MET . 23.3 ptm 42.41 99.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.23 0.538 . . . . 0.0 111.848 -179.723 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.37 162.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.217 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.38 155.27 15.08 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.06 118.09 23.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.769 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.9 mt 59.63 95.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -142.97 121.58 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 88.3 mt -86.21 15.68 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 77.1 p -86.45 -26.17 24.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.73 138.93 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.087 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 35.9 t -89.64 177.31 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -78.07 -30.8 49.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.225 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.6 mt-10 -82.77 -38.43 23.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 77.4 m -57.75 -45.86 85.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -70.55 -17.72 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.488 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.5 tmtp? -86.57 -23.4 25.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.655 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.9 mm-40 -55.94 -18.43 9.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.666 179.719 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.729 HG22 HG13 ' A' 1539 ' ' ILE . 37.9 m -91.02 -28.37 18.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.525 ' HB1' ' SD ' ' A' 1602 ' ' MET . . . -73.18 1.48 9.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.503 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.7 t -126.62 -0.8 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.263 -179.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.671 ' HG3' ' HA ' ' A' 1533 ' ' THR . 98.1 mttt -62.92 145.79 95.99 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.804 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.41 -17.9 29.04 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.51 2.14 . . . . 0.0 112.024 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.669 ' HG3' ' HE2' ' A' 1604 ' ' LYS . 36.1 tt0 -85.0 -64.06 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.729 HG13 HG22 ' A' 1533 ' ' THR . 43.6 mm -53.84 109.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.331 -179.735 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.755 ' HB1' ' H ' ' A' 1605 ' ' GLU . . . -78.9 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.41 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.526 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 6.3 p90 -99.71 155.84 17.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.803 -179.049 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1542 ' ' ALA . . . . . . . . . . . . . . . -148.12 89.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.804 179.274 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.74 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 10.1 p90 -141.95 166.61 24.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 112.067 -178.8 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.666 ' HZ1' ' HB3' ' A' 1544 ' ' LYS . 4.6 ttpm? -105.51 134.0 49.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.259 179.508 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' 1563 ' ' LEU . 36.0 m -125.78 -174.77 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 111.606 -179.63 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.727 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.4 t -150.78 122.72 8.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.772 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.4 HD11 ' HB1' ' A' 1561 ' ' ALA . 43.6 mm -64.74 143.07 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 47.7 p -128.63 -32.52 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.439 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.403 ' HA ' ' HE3' ' A' 1595 ' ' LYS . 74.1 m -150.66 152.18 33.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.346 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.422 HG12 ' HD1' ' A' 1559 ' ' TYR . 75.8 mt -128.84 137.42 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 60.7 m -138.13 140.56 39.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.511 HG22 HG23 ' A' 1557 ' ' VAL . 9.3 p -142.8 144.77 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -113.3 -66.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -132.99 -71.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' 1556 ' ' PHE . 6.5 m -111.96 -51.23 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.284 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.439 ' H ' HG22 ' A' 1555 ' ' VAL . 90.4 m-85 -71.67 124.34 24.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.821 179.875 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.511 HG23 HG22 ' A' 1552 ' ' VAL . 24.8 t -108.94 110.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.792 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' 1558 ' ' LYS . 0.7 OUTLIER -81.66 151.6 27.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.731 179.766 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.422 ' HD1' HG12 ' A' 1550 ' ' ILE . 93.5 m-85 -135.69 111.46 9.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -87.82 108.83 19.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.149 179.379 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' 1547 ' ' ILE . . . -133.4 156.87 46.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.006 0.431 . . . . 0.0 111.71 -179.366 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.8 m -105.35 136.02 45.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.863 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.79 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.7 tt -67.44 140.96 57.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.727 HD11 ' HB2' ' A' 1546 ' ' SER . 86.3 mt -98.25 -45.3 6.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.999 -179.609 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.2 t70 -167.7 138.57 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.795 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.74 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.5 mt -101.61 122.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.96 0.409 . . . . 0.0 111.914 -179.479 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -97.83 -15.68 20.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.529 178.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 61.9 tttm -153.46 111.16 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.771 179.328 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 58.8 m -43.47 144.65 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.165 0.507 . . . . 0.0 112.058 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.713 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -101.52 132.33 10.92 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.559 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.516 ' HG3' ' HB3' ' A' 1540 ' ' ALA . 39.9 mt-10 -60.6 -23.71 64.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.449 179.68 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.586 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -96.24 66.42 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.581 179.464 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.47 HG11 ' O ' ' A' 1573 ' ' VAL . 7.6 p 38.31 83.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.07 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.713 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -113.25 130.32 56.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.603 179.471 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' 1578 ' ' SER . 46.1 mt-10 -139.16 155.43 47.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.95 131.68 50.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.791 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.719 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.1 p30 45.84 37.45 3.54 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.614 179.681 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.527 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 53.9 p -77.86 -168.7 1.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 179.515 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -112.52 125.72 54.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.36 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.588 HD12 HG13 ' A' 1545 ' ' VAL . 9.3 pt -143.47 147.22 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.023 0.439 . . . . 0.0 111.963 -179.282 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 40.6 m -124.37 116.61 22.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.661 179.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.832 ' HB3' HD23 ' A' 1621 ' ' LEU . 51.9 m-85 -93.18 120.17 33.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.985 0.421 . . . . 0.0 111.607 -179.631 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.556 HG23 ' HA ' ' A' 1620 ' ' PRO . 6.4 tt -99.99 109.43 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.801 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' 1621 ' ' LEU . 25.2 ttpp -104.07 151.24 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.998 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.552 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 67.0 mttm -91.76 151.48 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.672 179.768 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 12.3 p -88.5 -18.13 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 10.2 t -88.32 12.95 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.46 -179.681 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.552 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 64.6 m -78.95 146.54 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 87.4 m -67.62 -73.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.338 -179.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 8.6 m120 -121.15 85.45 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 111.462 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.6 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -153.65 101.7 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.702 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -137.47 155.96 48.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 75.1 mt -133.99 166.86 21.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 73.6 t -128.56 140.79 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' 1549 ' ' SER . 87.6 tttt -77.15 140.23 40.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.97 61.12 6.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.594 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.512 ' HA ' ' HD2' ' A' 1632 ' ' ARG . 35.1 ttm180 -163.85 153.23 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.0 110.719 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.558 ' HG2' HD11 ' A' 1564 ' ' LEU . 25.0 mt-30 -88.57 133.36 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.034 0.445 . . . . 0.0 111.483 -179.565 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.486 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 68.1 m-85 -143.25 125.27 15.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.814 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 51.5 tp -75.58 140.19 42.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.263 179.338 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' A' 1626 ' ' TRP . 97.5 mt -139.69 127.58 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.149 0.499 . . . . 0.0 111.971 -179.404 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.525 ' SD ' ' HB1' ' A' 1534 ' ' ALA . 32.6 mtm -136.44 120.34 17.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.774 179.12 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.44 ' HA2' HD11 ' A' 1539 ' ' ILE . . . -160.51 179.49 35.97 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.161 -1.018 . . . . 0.0 113.445 -178.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.669 ' HE2' ' HG3' ' A' 1538 ' ' GLU . 9.2 ttpt -84.2 92.57 7.98 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.701 0.259 . . . . 0.0 111.701 -179.494 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.755 ' H ' ' HB1' ' A' 1540 ' ' ALA . 13.1 pt-20 40.78 -161.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.128 179.06 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.527 ' HB1' ' CD2' ' A' 1619 ' ' TYR . . . -128.44 -170.01 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.055 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.527 ' HG ' ' HD3' ' A' 1620 ' ' PRO . 85.0 mt -86.07 -165.93 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.188 -179.939 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.521 ' HA ' ' O ' ' A' 1607 ' ' LEU . 27.8 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.699 0.285 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.492 HD12 HG22 ' A' 1583 ' ' ILE . 19.0 pt -59.43 129.44 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.879 0.371 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.527 ' CD2' ' HB1' ' A' 1606 ' ' ALA . 5.9 m-85 -79.22 110.5 15.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.064 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1620 ' ' PRO . . . . . 0.556 ' HA ' HG23 ' A' 1583 ' ' ILE . 80.3 Cg_endo -74.88 151.36 40.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.56 2.173 . . . . 0.0 112.343 -179.829 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.832 HD23 ' HB3' ' A' 1582 ' ' PHE . 3.8 mm? -103.59 99.91 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 179.564 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.487 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 9.1 m-20 -123.01 -163.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.8 p -70.5 -31.48 68.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.563 -179.42 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 2.4 pt? -78.42 9.85 3.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.491 HG23 HG13 ' A' 1627 ' ' ILE . 68.2 m -95.29 117.85 31.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.545 ' O ' ' HA ' ' A' 1601 ' ' ILE . 51.0 t-105 -90.47 101.08 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.697 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.551 HD11 HD12 ' A' 1621 ' ' LEU . 75.2 mt -109.92 128.88 65.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -143.75 115.2 8.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.455 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 7.5 t80 -58.53 127.72 33.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t90 -113.08 100.27 50.92 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.415 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.449 ' HB2' HD12 ' A' 1643 ' ' LEU . 88.5 Cg_exo -47.13 106.39 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.674 2.249 . . . . 0.0 112.456 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1632 ' ' ARG . . . . . 0.512 ' HD2' ' HA ' ' A' 1597 ' ' ARG . 76.9 mtp180 -55.25 -39.0 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.69 157.83 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.075 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.737 HG23 HD13 ' A' 1643 ' ' LEU . 65.1 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.83 83.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.491 ' O ' ' HG ' ' A' 1646 ' ' LEU . 90.5 t80 -78.1 -26.28 47.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.664 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.737 HD13 HG23 ' A' 1634 ' ' THR . 77.2 mt -82.66 -0.77 48.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.066 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.22 -38.0 22.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.74 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -78.09 -28.17 48.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.52 HD13 HD23 ' A' 1643 ' ' LEU . 70.5 mt -68.06 -34.66 76.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.661 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.79 -42.49 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.678 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.45 -41.31 97.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.689 179.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 67.9 t80 -61.99 -34.99 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.027 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.16 82.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.361 -179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -87.59 -3.59 58.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -82.56 -73.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.084 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.477 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.6 tp -54.75 -26.82 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.065 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 75.3 t80 -76.01 -51.21 12.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 30.2 tp -92.85 -65.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.296 -179.463 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.633 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -55.43 -74.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.452 -179.505 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 70.43 139.2 0.15 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.337 -179.64 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.161 -179.901 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.983 0.42 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.607 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 12.4 t -86.33 107.3 17.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.711 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.777 ' HA3' ' HB1' ' A' 1591 ' ' ALA . . . 87.8 41.03 6.49 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.325 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -52.11 112.16 0.74 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 82.0 mtp -84.59 151.52 24.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1518 ' ' GLN . . . . . 0.483 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 4.0 pt20 -91.04 176.07 6.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.607 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 15.2 mm-40 -72.48 154.89 40.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -86.08 131.02 34.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' 1523 ' ' LEU . 89.9 mt 57.93 24.0 10.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.099 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.607 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 25.9 t70 -57.89 107.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' 1521 ' ' LEU . 77.3 mt -100.74 99.01 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -179.719 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 10.0 t -176.14 -18.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.966 179.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.2 mt -84.69 137.4 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 69.9 m -90.91 151.88 20.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -56.51 -55.08 38.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.795 179.636 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' 1532 ' ' GLN . 5.5 pt-20 -57.05 -40.22 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.136 179.808 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1529 ' ' THR . . . . . 0.412 ' HA ' HE21 ' A' 1532 ' ' GLN . 89.7 m -57.45 -39.88 77.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 45.6 ttm105 -77.41 -24.42 50.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.592 ' NZ ' ' HB2' ' A' 1658 ' ' CYS . 26.9 tptp -78.43 -24.53 46.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.3 mt-30 -77.79 5.14 10.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.812 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.752 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 57.9 m -122.73 -25.25 4.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -77.11 1.27 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.228 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 51.2 t -118.87 -22.11 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.752 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.1 mtmt -59.11 155.64 32.57 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.6 -13.79 11.6 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.633 2.222 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.482 ' C ' HD13 ' A' 1539 ' ' ILE . 37.9 tt0 -74.04 -33.94 63.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.824 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.9 mp -109.34 110.91 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.362 -179.496 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.719 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -84.82 -40.34 17.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.029 179.673 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.493 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -127.45 162.19 26.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.616 -179.468 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.89 102.25 2.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.801 179.187 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.735 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.4 p90 -144.42 173.87 11.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.118 0.485 . . . . 0.0 111.964 -178.793 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.618 ' HG2' HD11 ' A' 1564 ' ' LEU . 38.2 ttmt -108.04 129.34 55.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.307 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.715 HG13 ' HA ' ' A' 1563 ' ' LEU . 20.4 m -125.96 179.69 3.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.301 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 27.6 t -150.68 116.16 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.606 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 34.0 mm -62.53 147.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 179.717 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 4.4 t -152.12 -9.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 111.654 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.778 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 51.7 m -150.37 133.1 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.936 0.398 . . . . 0.0 111.246 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.4 mt -129.57 134.61 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.847 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 91.3 m -134.84 100.7 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.323 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.731 ' HA ' HG13 ' A' 1557 ' ' VAL . 7.6 p -98.96 123.49 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.667 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.85 -72.41 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.073 -179.654 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -163.05 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.071 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.511 HG12 HG12 ' A' 1586 ' ' VAL . 32.4 t -89.89 -45.39 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.224 -179.883 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -111.92 117.69 33.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.731 HG13 ' HA ' ' A' 1552 ' ' VAL . 33.1 t -99.3 125.7 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -92.85 117.56 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.753 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 53.0 m-85 -108.38 110.72 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.852 179.52 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.778 ' HB2' ' HB2' ' A' 1549 ' ' SER . 35.0 mmtp -94.69 115.98 28.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.433 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.83 164.45 26.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.376 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 8.9 m -113.35 132.66 55.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.715 ' HA ' HG13 ' A' 1545 ' ' VAL . 10.7 tp -78.59 105.04 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.523 179.653 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.618 HD11 ' HG2' ' A' 1544 ' ' LYS . 81.6 mt -56.16 -45.62 79.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.254 -179.391 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.521 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.4 t70 -174.64 158.64 2.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.658 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.735 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 61.6 mt -103.31 133.63 46.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 112.063 -179.626 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.572 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 96.5 m-85 -107.45 -18.6 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.082 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 23.6 tptm -153.18 104.7 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.634 179.146 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 15.0 t -44.54 150.67 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.028 0.442 . . . . 0.0 111.703 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.621 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -96.88 140.48 15.08 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.406 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.719 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 40.8 mt-10 -52.15 -32.37 35.47 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.994 0.426 . . . . 0.0 110.106 179.669 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.435 ' HB3' ' CE2' ' A' 1617 ' ' TYR . . . -87.75 45.78 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.758 178.779 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' 1573 ' ' VAL . 7.7 p 41.11 82.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.698 -179.403 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.621 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -86.14 144.47 27.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.59 179.466 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.484 ' O ' HD21 ' A' 1563 ' ' LEU . 39.5 tt0 -130.7 145.23 51.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.74 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -60.05 153.2 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.551 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.593 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.5 p30 46.28 31.19 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.382 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' 1575 ' ' GLU . 49.6 p -69.29 -166.89 0.1 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.805 179.579 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -126.89 95.9 4.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.584 179.598 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.622 HD12 HG11 ' A' 1545 ' ' VAL . 25.4 pt -89.63 152.65 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.557 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1581 ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' 1559 ' ' TYR . 8.2 m -135.24 98.2 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.76 179.546 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.753 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 25.6 m-85 -71.48 110.9 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.251 0.548 . . . . 0.0 110.553 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.673 HG13 HD13 ' A' 1618 ' ' ILE . 4.2 mm -89.8 121.72 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.797 -179.605 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.69 ' HG3' ' HB2' ' A' 1588 ' ' CYS . 40.3 ttpt -116.17 152.16 34.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.685 ' HB2' ' HZ1' ' A' 1585 ' ' LYS . 10.0 mtmp? -124.23 177.61 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1586 ' ' VAL . . . . . 0.511 HG12 HG12 ' A' 1555 ' ' VAL . 27.9 m -62.7 -26.7 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.37 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 81.2 p -75.0 -39.97 60.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.69 ' HB2' ' HG3' ' A' 1584 ' ' LYS . 2.7 m -71.0 89.03 0.78 Allowed 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 7.6 t -105.46 -14.01 15.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.27 -23.42 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.777 ' HB1' ' HA3' ' A' 1515 ' ' GLY . . . -86.72 103.65 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.135 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -142.51 127.17 18.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.3 mt -118.15 163.66 16.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' 1597 ' ' ARG . 3.3 p -130.89 134.55 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.606 ' HA ' ' HB ' ' A' 1547 ' ' ILE . 21.4 pttp -67.69 150.69 48.38 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 95.71 -2.39 64.49 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.44 ' HD2' ' CG1' ' A' 1594 ' ' VAL . 91.8 mtt180 -121.79 174.78 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 111.331 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.57 ' HG3' HH21 ' A' 1632 ' ' ARG . 23.1 mt-30 -120.68 140.76 51.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -136.73 143.07 43.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.411 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.598 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 2.1 tm? -91.52 114.26 26.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.024 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.591 HD12 HG23 ' A' 1545 ' ' VAL . 2.4 mp -113.38 122.97 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.057 0.456 . . . . 0.0 111.96 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.672 ' HG3' ' HB3' ' A' 1626 ' ' TRP . 2.7 ptm -145.3 114.16 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.307 178.819 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.824 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -173.67 -169.27 35.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.738 -179.478 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 58.4 tptt -48.19 149.32 1.51 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.765 0.317 . . . . 0.0 111.18 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.94 174.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.289 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -78.03 177.86 7.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.279 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' 1617 ' ' TYR . 4.0 mm? -95.95 -177.22 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.405 ' HG2' ' CE1' ' A' 1617 ' ' TYR . 78.8 mt-30 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.851 179.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.472 ' HA ' ' O ' ' A' 1607 ' ' LEU . 5.2 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.329 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.673 HD13 HG13 ' A' 1583 ' ' ILE . 33.4 pt -83.44 149.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.798 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.507 ' O ' ' HA ' ' A' 1582 ' ' PHE . 68.5 m-85 -106.27 109.14 62.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.003 -179.612 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.93 175.76 9.29 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.499 2.133 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.697 HD11 ' HB3' ' A' 1582 ' ' PHE . 93.2 mt -130.9 59.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.782 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.48 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 10.3 m-20 -78.37 -165.8 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.015 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.7 p -78.39 -31.41 48.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.753 -179.328 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 2.1 pt? -75.59 4.51 7.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.744 0.306 . . . . 0.0 111.083 -179.575 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 58.9 m -89.7 109.42 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.017 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.672 ' HB3' ' HG3' ' A' 1602 ' ' MET . 30.9 t-105 -78.33 113.73 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.802 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 64.9 mt -120.69 113.01 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.598 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 35.3 tt0 -114.04 150.32 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.475 ' O ' ' HD3' ' A' 1631 ' ' PRO . 27.3 t80 -90.35 122.01 32.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.153 179.423 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -101.95 102.13 22.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.483 ' HD2' HD23 ' A' 1643 ' ' LEU . 42.5 Cg_exo -56.84 108.37 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.594 2.196 . . . . 0.0 112.303 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1632 ' ' ARG . . . . . 0.57 HH21 ' HG3' ' A' 1598 ' ' GLN . 36.0 ttm180 -70.97 -24.48 62.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -88.6 146.92 24.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.437 HG23 HD12 ' A' 1643 ' ' LEU . 81.9 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.787 0.327 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.73 70.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.317 -179.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.404 ' HA ' HD22 ' A' 1645 ' ' ASN . 67.9 t80 -66.44 -45.38 80.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.483 HD23 ' HD2' ' A' 1631 ' ' PRO . 83.5 mt -70.3 -12.6 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.68 -57.99 3.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1645 ' ' ASN . . . . . 0.404 HD22 ' HA ' ' A' 1642 ' ' PHE . 8.6 p30 -69.55 -16.48 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 58.8 tp -93.89 -18.54 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.629 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.46 -43.99 93.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.04 -49.6 76.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.65 179.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.469 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 90.4 t80 -66.29 -25.08 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.701 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -62.85 -27.41 69.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.196 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -116.79 -6.01 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.525 ' O ' ' HB2' ' A' 1656 ' ' ASN . 21.4 t70 -81.19 -9.51 59.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.78 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.429 HD12 ' HE2' ' A' 1531 ' ' LYS . 5.4 tp -107.53 -31.89 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.769 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 44.2 t80 -78.87 -46.7 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.008 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.86 -61.0 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.875 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.644 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -71.48 -72.06 0.24 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.253 -179.48 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.29 -165.62 54.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.353 -179.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A 1658 ' ' CYS . . . . . 0.592 ' HB2' ' NZ ' ' A' 1531 ' ' LYS . 42.6 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 121.028 0.442 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 29.5 p -70.23 -138.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.189 179.214 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -38.06 -32.37 0.12 Allowed Glycine 0 N--CA 1.457 0.055 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.669 179.157 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 66.77 112.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.882 0.373 . . . . 0.0 111.198 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.477 ' HE3' ' HG ' ' A' 1593 ' ' LEU . 21.0 mmt -98.43 153.47 18.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.686 179.817 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1518 ' ' GLN . . . . . 0.46 ' NE2' ' HG3' ' A' 1628 ' ' GLU . 10.5 pt20 -100.88 -177.22 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -77.04 164.58 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.223 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -88.74 127.48 35.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 65.0 mt 54.87 86.34 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -117.54 100.49 7.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 64.8 mt -89.47 91.21 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.245 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 9.1 t -177.63 -24.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 72.2 mt -82.98 108.6 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 53.6 m -61.05 153.94 24.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.26 -10.49 58.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.5 mt-10 -90.69 -36.36 14.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.3 m -58.16 -54.76 43.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.687 HH12 HD21 ' A' 1646 ' ' LEU . 4.4 ptm180 -70.92 -11.64 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.809 ' HE2' HD11 ' A' 1653 ' ' ILE . 26.8 tptp -83.39 -30.58 27.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.3 mm-40 -59.92 -17.45 37.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.689 HG22 ' HE2' ' A' 1536 ' ' LYS . 67.5 m -85.96 -29.15 23.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.699 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.09 84.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.251 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.0 t -100.16 8.45 43.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.975 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.736 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 33.6 ttpt -68.09 135.41 91.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.668 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1537 ' ' PRO . . . . . 0.403 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 68.1 Cg_exo -51.48 -53.07 7.71 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.824 2.349 . . . . 0.0 113.126 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.736 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.6 pt-20 -59.19 -16.73 22.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.361 -179.516 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.606 HD11 ' HA2' ' A' 1603 ' ' GLY . 43.4 mm -95.57 142.98 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.031 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -115.0 -65.3 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.473 -179.619 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.497 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 4.7 p90 -99.8 158.54 15.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.761 -179.18 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' 1568 ' ' LYS . . . -149.75 84.32 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.154 179.267 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.656 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 27.4 p90 -134.71 170.04 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.63 -179.252 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.59 ' HZ2' HE21 ' A' 1598 ' ' GLN . 0.0 OUTLIER -114.88 144.66 43.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.232 179.487 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.846 HG11 ' HA ' ' A' 1563 ' ' LEU . 11.3 m -137.89 -177.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.943 0.401 . . . . 0.0 111.392 -179.501 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.405 ' CB ' HD13 ' A' 1564 ' ' LEU . 19.0 t -143.62 128.11 17.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.707 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.431 ' HA ' ' HB3' ' A' 1561 ' ' ALA . 44.0 mm -57.58 133.28 22.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 68.2 p -116.23 -32.64 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.514 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 72.2 m -154.12 148.31 25.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.353 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.6 mt -116.8 111.74 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.81 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1551 ' ' THR . . . . . 0.727 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 61.2 m -92.45 133.12 36.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 11.2 p -145.66 142.31 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -126.02 -74.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -146.38 -66.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 37.2 t -104.15 -52.12 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -72.37 147.09 46.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 43.6 t -129.31 146.51 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.729 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.753 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.5 mttt -137.92 155.54 48.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.293 -179.589 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.575 ' HE2' ' HD3' ' A' 1584 ' ' LYS . 99.0 m-85 -142.8 105.16 4.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.797 179.843 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -89.45 129.11 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.327 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.431 ' HB3' ' HA ' ' A' 1547 ' ' ILE . . . -141.23 156.59 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.022 0.439 . . . . 0.0 111.863 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.6 m -97.08 140.77 31.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.825 179.48 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.846 ' HA ' HG11 ' A' 1545 ' ' VAL . 2.2 tt -74.46 126.44 30.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.949 179.236 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.59 HD11 ' HA ' ' A' 1545 ' ' VAL . 9.2 mp -84.33 -45.97 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.755 0.312 . . . . 0.0 110.962 -179.879 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.9 t70 -168.56 145.69 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.656 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 57.0 mt -105.86 119.71 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.746 -179.758 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -91.78 -19.16 22.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.301 0.572 . . . . 0.0 109.622 179.014 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.537 ' HB3' ' HB1' ' A' 1542 ' ' ALA . 62.4 tttp -149.48 112.25 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.843 179.386 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 95.3 m -45.05 143.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.17 0.51 . . . . 0.0 111.969 -179.146 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.715 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -102.34 137.25 13.26 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.256 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.544 ' HB2' ' HB2' ' A' 1605 ' ' GLU . 12.7 mm-40 -57.6 -20.06 30.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 110.561 179.767 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.433 ' HB1' ' HG3' ' A' 1605 ' ' GLU . . . -91.22 53.66 2.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.46 179.363 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' 1573 ' ' VAL . 7.2 p 41.53 41.42 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.694 -179.791 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.715 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -62.24 129.58 41.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.936 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.471 ' HB2' ' OG ' ' A' 1578 ' ' SER . 45.4 mt-10 -132.97 143.35 49.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -54.88 122.68 11.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.661 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.693 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.6 t70 67.97 56.13 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 55.0 m -105.16 -177.85 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.543 179.362 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -109.66 122.57 47.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.39 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.651 HD13 HG12 ' A' 1545 ' ' VAL . 5.5 pt -137.27 137.64 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 112.027 -179.37 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 39.6 m -112.09 132.13 55.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.342 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.432 ' CZ ' HD12 ' A' 1601 ' ' ILE . 29.5 m-85 -113.42 101.38 9.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.416 -179.585 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.753 HG22 ' HG2' ' A' 1558 ' ' LYS . 41.0 pt -88.79 167.21 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.664 ' HB3' HD11 ' A' 1621 ' ' LEU . 14.4 ptmm? -168.17 -177.01 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.952 0.406 . . . . 0.0 111.068 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 94.3 mttt -126.82 158.91 35.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 13.6 p -65.85 -11.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.024 0.44 . . . . 0.0 110.658 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.6 p -60.44 -26.74 66.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.494 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 52.1 t -64.18 134.54 55.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.755 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 12.1 m -126.2 53.42 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -173.44 -10.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.555 ' HB2' ' SG ' ' A' 1514 ' ' CYS . . . -61.87 137.15 58.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.896 0.379 . . . . 0.0 111.388 -179.869 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -158.01 106.52 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.798 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.477 ' HG ' ' HE3' ' A' 1517 ' ' MET . 97.2 mt -131.4 157.51 43.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.026 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.443 ' H ' ' HH ' ' A' 1599 ' ' TYR . 66.4 t -134.94 126.3 46.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.017 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.438 ' C ' ' HD2' ' A' 1595 ' ' LYS . 4.8 tmmm? -65.21 116.67 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.708 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 119.47 -19.02 9.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.519 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 91.9 mtt180 -90.51 177.11 6.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.028 0.442 . . . . 0.0 111.317 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.59 HE21 ' HZ2' ' A' 1544 ' ' LYS . 25.9 mt-30 -118.62 144.45 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.761 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.443 ' HH ' ' H ' ' A' 1594 ' ' VAL . 96.2 m-85 -142.04 141.68 32.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.152 -179.829 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.823 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 62.6 tp -82.69 145.3 29.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.228 179.322 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.432 HD12 ' CZ ' ' A' 1582 ' ' PHE . 82.2 mt -137.79 122.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.066 0.46 . . . . 0.0 111.712 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.414 ' O ' ' HB3' ' A' 1626 ' ' TRP . 56.9 mtp -143.49 112.84 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.05 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.606 ' HA2' HD11 ' A' 1539 ' ' ILE . . . -171.08 -178.29 41.49 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 119.785 -1.198 . . . . 0.0 113.914 -179.321 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.702 ' HD3' ' N ' ' A' 1605 ' ' GLU . 13.7 tmtt? -60.22 157.22 13.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.386 -0.407 . . . . 0.0 111.267 -179.609 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.702 ' N ' ' HD3' ' A' 1604 ' ' LYS . 35.4 tt0 -49.1 156.39 0.54 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.297 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' 1605 ' ' GLU . . . -71.9 -169.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.216 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' 1608 ' ' GLN . 94.9 mt -88.96 -165.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.235 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' 1607 ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.323 -179.746 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.874 0.368 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.586 HD13 HD12 ' A' 1583 ' ' ILE . 31.3 pt -137.08 143.02 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.805 179.625 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.442 ' HE1' ' HB ' ' A' 1580 ' ' ILE . 24.5 m-85 -100.41 124.26 43.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.439 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.52 -8.57 19.56 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.624 2.216 . . . . 0.0 112.453 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' 1584 ' ' LYS . 95.6 mt 60.01 103.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.345 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.548 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.8 m-20 -144.19 174.73 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.729 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.0 p -60.09 -13.71 13.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.449 HD13 ' H ' ' A' 1604 ' ' LYS . 0.1 OUTLIER -69.02 -47.59 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 179.755 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.431 ' N ' ' HG ' ' A' 1624 ' ' LEU . 78.9 m -74.97 115.25 14.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.624 -179.43 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.414 ' HB3' ' O ' ' A' 1602 ' ' MET . 35.9 t-105 -72.75 119.98 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.65 179.557 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.414 HG21 ' SD ' ' A' 1517 ' ' MET . 56.1 mt -118.13 140.73 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.823 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -135.51 153.4 51.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.755 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.519 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 19.4 t80 -92.08 109.61 20.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.475 ' CE2' HD13 ' A' 1646 ' ' LEU . 12.1 t-105 -90.88 108.14 25.71 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.227 179.515 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.664 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 54.7 Cg_exo -51.49 99.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.408 2.072 . . . . 0.0 112.439 -179.626 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1632 ' ' ARG . . . . . 0.486 ' O ' ' HD3' ' A' 1632 ' ' ARG . 4.2 tmt_? -64.13 -23.56 67.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.653 179.833 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 4.4 p30 -90.49 135.57 33.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.734 HG22 ' HG ' ' A' 1643 ' ' LEU . 79.9 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.981 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.88 ' H ' ' HB2' ' A' 1643 ' ' LEU . 6.2 tp-100 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.705 0.288 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -93.59 -86.29 0.26 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.782 0.325 . . . . 0.0 110.561 179.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.664 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 31.2 t80 -78.73 -7.56 57.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.88 ' HB2' ' H ' ' A' 1640 ' ' GLN . 2.6 mm? -70.87 -5.09 27.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.115 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -90.43 -37.89 13.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -78.74 -14.95 59.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.687 HD21 HH12 ' A' 1530 ' ' ARG . 81.9 mt -82.1 -22.59 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.717 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -74.5 -40.35 61.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1648 ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' 1652 ' ' ASP . 39.9 tt0 -66.18 -22.89 66.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.457 ' O ' HG22 ' A' 1653 ' ' ILE . 73.2 t80 -96.12 -24.13 16.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.66 -77.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.461 -179.756 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -21.29 59.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.366 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.483 ' HA ' HD21 ' A' 1656 ' ' ASN . 16.7 t70 -59.56 -76.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.176 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.809 HD11 ' HE2' ' A' 1531 ' ' LYS . 6.4 tp -58.41 -29.88 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.016 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 54.5 t80 -67.27 -37.53 83.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.206 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 34.0 tp -105.49 -71.64 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.483 HD21 ' HA ' ' A' 1652 ' ' ASP . 18.8 m-80 -55.5 -68.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.257 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.667 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 68.69 -172.79 35.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.986 179.939 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.53 0.205 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.511 ' O ' ' HB2' ' A' 1590 ' ' ASN . 40.6 t -51.56 155.76 1.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.432 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 48.66 34.73 15.15 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.603 -178.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -48.22 -36.3 13.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.201 -0.499 . . . . 0.0 111.346 -179.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 82.8 mtp 55.05 -169.15 0.08 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1518 ' ' GLN . . . . . 0.418 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 12.0 pt20 -131.12 167.54 18.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.77 176.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -96.52 142.05 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' 1523 ' ' LEU . 92.8 mt 57.24 22.59 7.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -56.82 105.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' 1521 ' ' LEU . 69.1 mt -94.78 5.01 53.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 74.1 p -81.73 3.86 24.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 83.0 mt -122.87 123.01 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.003 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1526 ' ' SER . . . . . 0.411 ' HB3' ' OG1' ' A' 1529 ' ' THR . 38.2 t -81.99 175.24 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -66.71 -56.98 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.752 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.3 mt-10 -63.93 -19.14 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1529 ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' 1526 ' ' SER . 96.3 m -56.71 -42.14 78.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' 1530 ' ' ARG . 27.1 ptt85 -106.78 -16.51 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.752 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 20.4 tptm -66.65 -44.93 80.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.71 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' 1532 ' ' GLN . 3.3 pt20 -61.1 -16.47 44.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.039 0.447 . . . . 0.0 110.202 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.778 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 60.6 m -76.42 -33.84 58.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.56 179.514 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.432 ' HB3' ' HE3' ' A' 1602 ' ' MET . . . -58.95 -21.57 58.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.776 179.67 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 86.6 m -83.73 -26.47 29.7 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.04 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.778 ' HE2' ' HA ' ' A' 1533 ' ' THR . 63.1 mttm -55.62 149.72 29.04 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.72 -18.8 32.24 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.493 2.129 . . . . 0.0 112.086 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.405 ' HB2' ' HZ2' ' A' 1604 ' ' LYS . 10.0 pt-20 -73.23 -22.96 60.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.615 HG13 HG22 ' A' 1533 ' ' THR . 40.9 mm -95.29 102.17 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.868 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.72 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.385 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.851 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.8 p90 -140.24 162.35 35.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.27 0.557 . . . . 0.0 112.051 -179.48 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1542 ' ' ALA . . . . . . . . . . . . . . . -147.79 96.53 2.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.653 179.307 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.675 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.7 p90 -144.15 -178.75 6.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.393 0.616 . . . . 0.0 112.445 -178.623 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.543 ' NZ ' ' HB3' ' A' 1598 ' ' GLN . 53.9 tttp -118.68 133.47 55.83 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.235 179.631 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.796 HG13 ' HA ' ' A' 1563 ' ' LEU . 24.7 m -131.31 -177.25 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.995 0.426 . . . . 0.0 111.526 -179.58 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 16.4 t -146.46 126.9 14.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.472 HD11 ' HB1' ' A' 1561 ' ' ALA . 47.0 mm -70.85 141.35 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.728 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 62.6 p -121.1 -44.55 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.483 -179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 69.5 m -142.52 166.39 24.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 111.412 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.432 HG12 ' HD1' ' A' 1559 ' ' TYR . 79.1 mt -131.12 120.14 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.78 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1551 ' ' THR . . . . . 0.774 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 86.3 m -95.51 121.97 37.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 96.6 t -112.46 123.18 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -110.21 -75.36 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1554 ' ' ASN . . . . . 0.466 ' C ' HD21 ' A' 1554 ' ' ASN . 0.2 OUTLIER -168.75 -72.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.67 -179.826 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 21.8 t -96.85 -35.63 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' A' 1584 ' ' LYS . 86.4 m-85 -106.93 115.72 30.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.518 ' HB ' ' HZ2' ' A' 1584 ' ' LYS . 47.1 t -89.29 144.48 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.851 ' HG2' HG21 ' A' 1583 ' ' ILE . 88.4 mttt -127.97 157.07 41.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 111.305 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.432 ' HD1' HG12 ' A' 1550 ' ' ILE . 97.9 m-85 -140.3 123.34 16.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -94.4 110.09 21.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.565 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' 1547 ' ' ILE . . . -126.93 171.27 11.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.313 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.3 m -128.65 139.63 52.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.796 ' HA ' HG13 ' A' 1545 ' ' VAL . 0.1 OUTLIER -68.78 138.34 54.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.195 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' 1545 ' ' VAL . 10.6 mp -104.24 -42.24 5.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.066 0.46 . . . . 0.0 110.525 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.0 t70 -168.22 142.24 3.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.863 179.243 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.675 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 39.5 mt -116.48 135.32 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -178.751 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -106.01 -21.32 13.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.428 -0.805 . . . . 0.0 108.976 178.318 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 63.6 tttm -142.65 106.9 4.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.26 179.054 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1569 ' ' THR . . . . . 0.739 HG22 ' H ' ' A' 1571 ' ' GLU . 7.9 m -42.74 150.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.513 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.851 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -94.41 -11.37 57.24 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.759 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.739 ' H ' HG22 ' A' 1569 ' ' THR . 44.1 mt-10 73.16 -34.28 0.29 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 122.349 0.26 . . . . 0.0 111.306 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -94.96 65.08 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.674 179.72 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 97.3 t 51.28 87.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.42 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.465 ' HB3' HD13 ' A' 1566 ' ' ILE . . . -137.61 165.07 27.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.834 179.508 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.842 ' HG2' ' HB3' ' A' 1578 ' ' SER . 9.4 pt-20 -171.33 178.25 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.501 179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' 1577 ' ' ASP . 19.1 ptpt -81.41 36.1 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.505 -179.505 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.713 ' HA ' ' O ' ' A' 1563 ' ' LEU . 5.6 p-10 165.46 37.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.408 -179.425 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.842 ' HB3' ' HG2' ' A' 1575 ' ' GLU . 51.7 p -89.57 -168.03 2.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.087 0.47 . . . . 0.0 111.285 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -113.61 132.56 55.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.236 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.736 HD12 ' HE1' ' A' 1582 ' ' PHE . 32.3 pt -133.84 145.48 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.81 -179.409 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 27.1 m -134.12 122.64 23.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.678 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.736 ' HE1' HD12 ' A' 1580 ' ' ILE . 77.0 m-85 -108.05 135.26 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 111.318 -179.772 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.851 HG21 ' HG2' ' A' 1558 ' ' LYS . 48.9 pt -129.68 151.09 35.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.098 179.717 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.768 ' HD3' HD22 ' A' 1621 ' ' LEU . 23.8 pttm -152.66 -179.92 8.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -100.23 -170.3 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 29.6 m -82.15 -18.27 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 73.7 p -90.74 9.63 29.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.552 ' HB3' ' HD2' ' A' 1584 ' ' LYS . 17.8 t -122.39 16.67 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.712 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 67.9 p -67.75 -4.85 13.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.382 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' 1514 ' ' CYS . 17.0 m120 -58.4 -22.72 54.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -80.4 110.22 15.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -93.68 110.46 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.44 154.96 28.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.748 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 60.2 t -127.91 129.77 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.34 128.43 35.85 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 98.25 8.75 54.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.744 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.748 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 83.3 mtt180 -112.18 175.18 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.368 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.543 ' HB3' ' NZ ' ' A' 1544 ' ' LYS . 21.7 mt-30 -115.56 140.76 48.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.629 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.518 ' HH ' ' H ' ' A' 1594 ' ' VAL . 98.8 m-85 -141.61 154.98 45.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 111.529 -179.682 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' 1601 ' ' ILE . 2.3 tm? -98.02 135.64 39.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.002 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' 1600 ' ' LEU . 61.6 mt -129.6 133.04 65.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.187 0.517 . . . . 0.0 112.021 -179.385 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.432 ' HE3' ' HB3' ' A' 1534 ' ' ALA . 75.1 mtp -148.56 117.85 6.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.258 179.47 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.481 ' HA2' HD12 ' A' 1539 ' ' ILE . . . 167.31 -165.64 38.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 119.907 -1.14 . . . . 0.0 113.65 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.405 ' HZ2' ' HB2' ' A' 1538 ' ' GLU . 45.0 mmtm -49.84 159.1 0.42 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.984 0.421 . . . . 0.0 111.695 -179.509 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.478 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 12.4 pt-20 -90.34 -169.26 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' 1619 ' ' TYR . . . -108.18 141.38 40.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.325 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' 1607 ' ' LEU . 0.7 OUTLIER -130.85 104.1 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.336 179.571 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.601 ' HB2' ' HA ' ' A' 1617 ' ' TYR . 10.1 mm100 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 0.0 110.983 -178.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.601 ' HA ' ' HB2' ' A' 1608 ' ' GLN . 5.6 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.306 0.574 . . . . 0.0 112.334 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.674 HD12 HD11 ' A' 1583 ' ' ILE . 6.8 pt -148.04 98.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.112 179.302 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.56 ' O ' ' HA ' ' A' 1582 ' ' PHE . 66.4 m-85 -55.24 130.0 68.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.642 -178.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -76.54 143.6 24.52 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.646 2.23 . . . . 0.0 112.117 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.768 HD22 ' HD3' ' A' 1584 ' ' LYS . 36.9 tp -106.65 97.62 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.442 ' HA ' ' SG ' ' A' 1514 ' ' CYS . 9.6 m-20 -120.85 -172.21 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 -179.863 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.1 p -80.71 -17.03 52.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.08 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -32.43 58.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.599 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.473 ' O ' HG13 ' A' 1627 ' ' ILE . 69.1 m -62.17 99.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.087 -179.835 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -59.9 111.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' 1600 ' ' LEU . 71.8 mt -125.59 125.72 69.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.418 ' HG3' ' OE1' ' A' 1518 ' ' GLN . 42.4 tt0 -123.94 148.4 46.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.453 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 30.3 t80 -83.6 119.34 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -96.98 115.41 65.72 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.276 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' 1643 ' ' LEU . 76.4 Cg_exo -49.48 100.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.517 2.145 . . . . 0.0 112.343 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -63.23 -21.72 66.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -130.54 161.04 32.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 111.457 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.435 ' HB ' ' NE2' ' A' 1640 ' ' GLN . 66.6 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.745 179.712 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.475 ' HA ' HD22 ' A' 1643 ' ' LEU . 19.3 mm-40 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.832 0.348 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -73.81 -8.04 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.22 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' 1646 ' ' LEU . 43.7 t80 -106.28 -27.68 10.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.9 mm? -78.96 -52.6 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.998 -179.875 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -63.68 -15.2 57.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 31.8 t30 -95.1 -38.2 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' 1642 ' ' PHE . 11.3 tp -72.83 -25.47 61.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.635 179.874 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.52 -25.91 66.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.395 179.559 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -62.27 -46.36 89.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.584 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 41.1 t80 -55.07 -30.62 60.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.809 179.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -70.56 -48.18 56.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.333 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -71.21 -13.58 61.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.401 -179.364 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.0 -68.33 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 111.047 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.555 ' HB ' ' HE3' ' A' 1531 ' ' LYS . 8.2 tp -58.62 -22.09 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.2 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -82.02 -56.7 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.317 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 42.8 tp -80.31 -61.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 -179.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.601 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -64.31 -73.1 0.13 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.031 -179.856 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 94.03 173.57 39.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.901 -179.96 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.512 ' C ' ' H ' ' A' 1515 ' ' GLY . 8.0 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.777 0.322 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 15.6 p -78.18 25.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.352 0.596 . . . . 0.0 110.351 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.724 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 107.82 79.41 1.18 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.68 -179.242 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -47.0 121.42 3.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.261 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' 1591 ' ' ALA . 0.5 OUTLIER -70.64 140.15 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.019 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.44 167.48 5.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 12.9 mm-40 -63.68 163.77 10.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.998 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1520 ' ' GLU . . . . . 0.402 ' HG2' ' HG ' ' A' 1521 ' ' LEU . 41.3 tt0 -95.22 135.41 36.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' A' 1523 ' ' LEU . 94.4 mt 58.38 21.8 8.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.491 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 23.8 t70 -60.63 101.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.772 179.726 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' 1521 ' ' LEU . 72.9 mt -99.38 95.46 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 7.5 t -175.38 -20.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.06 127.51 39.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.4 t -77.13 160.41 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.9 -14.21 62.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.5 mt-10 -90.61 -32.6 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.1 m -62.7 -37.33 86.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.452 ' O ' ' HE3' ' A' 1602 ' ' MET . 4.2 ptp180 -88.03 -10.69 49.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.077 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.682 ' HE3' HD11 ' A' 1653 ' ' ILE . 21.7 tptm -86.81 -34.58 19.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.881 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.3 mt-30 -62.48 -13.39 29.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1533 ' ' THR . . . . . . . . . . . . . 42.5 m -88.84 -26.66 21.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.855 179.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.502 ' HB3' ' HE1' ' A' 1602 ' ' MET . . . -66.74 -58.9 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.279 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 37.3 t -69.99 -7.71 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.761 ' HZ1' ' HB3' ' A' 1538 ' ' GLU . 27.0 ttpp -62.94 137.93 97.09 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.706 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1537 ' ' PRO . . . . . 0.671 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 12.3 Cg_endo -55.68 -31.05 78.2 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.815 2.344 . . . . 0.0 112.946 -179.497 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.761 ' HB3' ' HZ1' ' A' 1536 ' ' LYS . 10.3 tp10 -64.7 -25.13 67.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.736 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.827 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -105.14 129.38 57.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.53 -41.56 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.435 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.473 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 1.3 p90 -123.83 159.12 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.21 0.529 . . . . 0.0 112.045 -179.258 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.516 ' HB1' ' HB3' ' A' 1568 ' ' LYS . . . -153.24 110.08 3.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.789 179.326 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.673 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 1.3 p90 -156.71 -178.65 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.198 0.523 . . . . 0.0 112.126 -178.75 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.539 ' HG2' HD13 ' A' 1564 ' ' LEU . 63.3 tttm -114.81 135.15 54.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.171 179.823 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.797 HG13 ' HA ' ' A' 1563 ' ' LEU . 20.4 m -129.77 174.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 0.0 111.988 -179.314 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.452 ' HB3' HD11 ' A' 1564 ' ' LEU . 75.1 p -143.68 117.54 9.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.609 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.45 HD11 ' HB2' ' A' 1561 ' ' ALA . 43.4 mm -55.25 139.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 72.5 p -128.23 -21.66 3.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.478 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.753 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 40.9 t -153.28 158.68 41.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.171 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.2 mt -144.1 116.69 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 89.4 m -110.62 109.45 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.039 179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.697 ' HA ' HG21 ' A' 1557 ' ' VAL . 3.8 p -106.21 123.48 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1553 ' ' GLU . . . . . 0.579 ' HG3' ' H ' ' A' 1554 ' ' ASN . 8.0 tp10 -110.22 174.61 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.426 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1554 ' ' ASN . . . . . 0.579 ' H ' ' HG3' ' A' 1553 ' ' GLU . 34.8 m-80 -54.31 -23.34 14.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.521 -179.686 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 92.5 t -138.64 -74.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.726 0.298 . . . . 0.0 111.633 -179.773 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -77.18 120.04 21.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.238 -179.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.697 HG21 ' HA ' ' A' 1552 ' ' VAL . 4.4 p -107.6 115.18 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.791 ' HG3' HG22 ' A' 1583 ' ' ILE . 11.4 mptt -89.78 155.67 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -135.76 130.48 34.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.011 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.753 ' HB3' ' HB3' ' A' 1549 ' ' SER . 16.3 tppt? -108.17 132.01 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.527 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.45 ' HB2' HD11 ' A' 1547 ' ' ILE . . . -138.76 173.46 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 111.635 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.3 m -124.13 127.62 48.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.83 HD23 HG12 ' A' 1566 ' ' ILE . 5.4 tp -69.99 90.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.55 ' H ' ' HA ' ' A' 1545 ' ' VAL . 87.6 mt -48.8 -45.34 40.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.339 -179.114 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.4 t70 -169.32 153.61 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.669 179.774 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.83 HG12 HD23 ' A' 1563 ' ' LEU . 38.2 mt -100.91 130.13 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.253 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.673 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 86.2 m-85 -109.59 -24.29 11.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.306 0.574 . . . . 0.0 109.496 178.504 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.516 ' HB3' ' HB1' ' A' 1542 ' ' ALA . 58.5 tptt -146.69 106.69 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.582 179.28 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1569 ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' 1574 ' ' ALA . 63.9 m -45.71 134.76 7.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.284 0.564 . . . . 0.0 112.1 -178.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.782 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -91.41 131.78 10.95 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.213 179.636 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -59.28 -20.57 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.343 . . . . 0.0 110.799 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.746 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -89.27 44.32 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.638 179.492 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 69.4 t 59.0 95.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.344 -179.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.782 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -92.21 144.51 25.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.496 ' HB3' ' HB2' ' A' 1578 ' ' SER . 10.2 tp10 -147.1 138.03 23.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.849 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -55.86 133.77 51.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.133 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.7 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.3 p30 45.6 39.2 4.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.227 0.537 . . . . 0.0 110.912 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.496 ' HB2' ' HB3' ' A' 1575 ' ' GLU . 32.7 t -64.52 -169.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.67 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -123.02 105.22 9.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.617 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.59 HD11 ' HE1' ' A' 1582 ' ' PHE . 36.8 pt -99.33 150.51 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.532 -179.619 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 10.2 m -134.96 105.16 6.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.619 ' HA ' ' O ' ' A' 1619 ' ' TYR . 52.6 m-85 -100.57 117.33 34.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.982 0.42 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.791 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.0 pt -98.88 149.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.047 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.561 ' HB2' HD11 ' A' 1621 ' ' LEU . 36.5 ttpt -133.18 158.98 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.444 ' N ' ' HG2' ' A' 1584 ' ' LYS . 97.4 mttt -108.54 -169.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 27.3 m -95.77 3.7 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 77.8 p -94.31 -5.98 45.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.462 ' HB2' ' HB3' ' A' 1514 ' ' CYS . 42.1 t -84.2 -72.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.595 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 71.8 p 49.0 24.32 0.86 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.072 179.359 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 14.3 m120 -134.25 -5.61 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 111.1 179.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.49 ' HA ' ' SD ' ' A' 1517 ' ' MET . . . -89.06 127.64 35.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -119.47 104.44 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.6 mt -121.22 96.13 4.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.643 179.718 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 43.8 t -74.68 147.7 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.262 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 62.9 tttp -65.3 136.14 56.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.69 33.48 87.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.524 ' HE ' ' HA ' ' A' 1597 ' ' ARG . 2.5 tpm_? -109.8 149.79 29.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.752 0.311 . . . . 0.0 110.749 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.426 ' HB3' ' HZ3' ' A' 1544 ' ' LYS . 21.1 mt-30 -91.09 129.42 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -135.94 150.01 49.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.001 0.429 . . . . 0.0 111.639 -179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' 1601 ' ' ILE . 5.6 tt -98.82 131.4 44.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.832 179.212 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.573 ' N ' HD22 ' A' 1600 ' ' LEU . 90.3 mt -124.88 128.55 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.127 0.489 . . . . 0.0 112.009 -179.263 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.502 ' HE1' ' HB3' ' A' 1534 ' ' ALA . 74.3 mtp -148.23 113.5 5.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.32 179.528 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.827 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.69 179.92 48.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.149 -1.024 . . . . 0.0 113.297 -179.746 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.428 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.8 tppp? -55.23 158.43 3.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.757 0.313 . . . . 0.0 111.084 -179.802 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.746 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 13.4 pt-20 -60.91 175.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -72.01 -173.43 1.03 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.6 mt -131.81 114.39 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.462 ' HB3' ' CE1' ' A' 1617 ' ' TYR . 4.5 pp0? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' 1608 ' ' GLN . 1.9 m-30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.774 0.321 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 2.6 pp -120.05 151.72 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 179.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' A' 1582 ' ' PHE . 25.9 m-85 -99.5 118.73 61.69 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.185 -179.534 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -84.67 -178.03 3.13 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.738 2.292 . . . . 0.0 112.436 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' 1584 ' ' LYS . 62.8 mt -135.78 95.13 3.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.77 179.56 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -116.76 179.53 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.797 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1623 ' ' SER . . . . . 0.724 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 47.3 t -74.5 -0.32 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.495 ' HG ' ' N ' ' A' 1625 ' ' THR . 0.4 OUTLIER -92.59 -34.09 14.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.521 179.79 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.495 ' N ' ' HG ' ' A' 1624 ' ' LEU . 19.1 m -56.15 124.9 19.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.198 -179.647 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.433 ' HB3' ' O ' ' A' 1602 ' ' MET . 45.1 t-105 -91.06 107.58 19.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' 1600 ' ' LEU . 5.3 mp -115.07 127.12 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.691 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.469 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 42.3 tt0 -132.09 114.53 14.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.453 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 15.5 t80 -57.92 120.86 9.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -98.89 102.39 15.04 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.225 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.95 98.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.714 2.276 . . . . 0.0 112.378 -179.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -61.43 -26.4 67.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.29 132.74 34.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 75.3 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.98 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.817 ' HA ' HD21 ' A' 1643 ' ' LEU . 9.5 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.348 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -59.92 -20.68 58.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.312 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 58.1 t80 -80.05 -30.78 39.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.768 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.817 HD21 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -74.31 -14.91 60.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.48 -43.99 79.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -73.59 -21.43 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.723 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.561 HD12 HD12 ' A' 1643 ' ' LEU . 97.3 mt -79.85 -27.73 40.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.11 -28.29 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.723 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.42 2.16 42.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.428 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 89.2 t80 -113.5 -20.11 11.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -76.73 -64.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.49 -33.31 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.721 ' HA ' HD22 ' A' 1656 ' ' ASN . 20.7 t70 -51.8 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.284 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.682 HD11 ' HE3' ' A' 1531 ' ' LYS . 7.2 tp -57.22 -29.49 32.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.312 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1654 ' ' PHE . . . . . 0.542 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 16.5 t80 -71.66 -29.79 65.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.332 -179.697 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.542 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 89.6 mt -103.94 -75.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.501 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.721 HD22 ' HA ' ' A' 1652 ' ' ASP . 2.0 p30 -76.68 -56.8 4.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.656 -179.351 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.678 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 65.54 -139.4 39.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.406 -179.816 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.259 -0.876 . . . . 0.0 110.851 179.95 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.998 0.428 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 94.6 m -70.25 -140.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.312 179.137 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . -40.12 -29.37 0.2 Allowed Glycine 0 N--CA 1.455 -0.076 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.828 179.315 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 68.35 114.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.882 0.373 . . . . 0.0 110.942 179.487 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.463 ' HG2' ' HA ' ' A' 1591 ' ' ALA . 92.5 mmm -83.5 130.41 35.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -75.34 159.92 30.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.24 147.58 47.51 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.08 143.52 39.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' 1523 ' ' LEU . 89.9 mt 58.76 18.76 6.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.192 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.409 ' OD1' HG13 ' A' 1525 ' ' ILE . 14.6 t70 -63.05 100.48 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.747 179.802 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' 1521 ' ' LEU . 64.7 mt -95.53 11.78 31.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.055 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 80.8 p -78.89 -36.47 42.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.409 HG13 ' OD1' ' A' 1522 ' ' ASP . 75.9 mt -74.86 136.36 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.8 m -78.8 177.14 8.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -88.41 -11.83 44.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.545 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 43.8 mt-10 -103.56 -23.0 13.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 63.5 m -59.64 -41.83 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.034 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.495 ' NH1' ' HG2' ' A' 1628 ' ' GLU . 13.0 ptp180 -92.59 -14.16 28.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.795 179.851 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.59 ' HE2' HD12 ' A' 1653 ' ' ILE . 26.7 tptp -75.52 -39.31 58.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.053 -179.902 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.8 mt-30 -62.05 -12.6 19.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.969 0.414 . . . . 0.0 110.384 179.57 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.68 HG23 HG13 ' A' 1539 ' ' ILE . 61.7 m -92.57 -29.48 16.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.906 179.743 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.17 70.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.288 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.3 t -96.76 -3.22 42.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.698 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 39.3 ttpt -58.42 135.23 85.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.47 -42.47 34.89 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.83 2.353 . . . . 0.0 112.784 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.698 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 0.4 OUTLIER -58.33 -55.57 33.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.202 0.525 . . . . 0.0 110.491 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.68 HG13 HG23 ' A' 1533 ' ' THR . 17.3 mm -61.14 107.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.436 -179.693 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -71.85 -63.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.732 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.568 ' HE1' HG23 ' A' 1601 ' ' ILE . 5.1 p90 -109.29 159.08 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.652 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.475 ' HB3' ' SD ' ' A' 1602 ' ' MET . . . -147.66 96.72 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.039 179.512 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.737 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.6 OUTLIER -150.88 173.21 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.97 0.414 . . . . 0.0 111.681 -179.107 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.513 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 21.3 pttp -110.62 147.42 34.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.069 179.171 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.817 HG13 ' HA ' ' A' 1563 ' ' LEU . 13.3 m -138.52 -175.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.609 -178.772 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.9 t -146.37 120.68 9.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.717 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.17 139.76 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 62.3 p -121.07 -38.83 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.39 -179.774 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 75.7 m -142.73 150.76 40.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.63 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.9 mt -133.62 136.58 54.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.044 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 69.2 m -140.52 113.79 8.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.59 ' HA ' HG13 ' A' 1557 ' ' VAL . 89.5 t -101.84 129.95 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1553 ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' 1556 ' ' PHE . 45.5 mt-10 -110.09 -164.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1554 ' ' ASN . . . . . 0.573 ' N ' HD21 ' A' 1554 ' ' ASN . 0.8 OUTLIER -56.89 -60.45 3.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.903 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.652 HG13 HG23 ' A' 1586 ' ' VAL . 33.9 t -129.07 -36.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.843 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' 1553 ' ' GLU . 94.8 m-85 -90.38 103.73 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.042 -179.774 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.59 HG13 ' HA ' ' A' 1552 ' ' VAL . 26.2 t -91.65 150.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.641 ' HG2' HG21 ' A' 1583 ' ' ILE . 94.3 mttt -131.45 152.45 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.443 ' CE2' ' HE3' ' A' 1584 ' ' LYS . 98.5 m-85 -138.94 120.26 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 24.3 tptm -98.26 121.12 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.401 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -139.62 166.5 24.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.984 0.421 . . . . 0.0 111.623 -179.613 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.6 m -115.29 128.39 56.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.999 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.817 ' HA ' HG13 ' A' 1545 ' ' VAL . 10.2 tp -66.29 112.22 3.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.257 179.445 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.539 ' H ' ' HA ' ' A' 1545 ' ' VAL . 85.5 mt -66.16 -61.19 2.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.281 -179.358 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.2 t70 -153.94 149.23 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.812 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.737 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 56.4 mt -97.9 135.27 33.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.038 0.447 . . . . 0.0 112.052 -179.442 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.479 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 52.9 m-85 -112.97 -15.56 12.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.321 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.433 ' CB ' ' HB1' ' A' 1542 ' ' ALA . 7.3 tmtm? -157.51 106.18 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.285 179.13 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 47.2 m -40.02 143.49 0.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.382 -178.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.729 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.53 133.75 11.46 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.32 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.67 -24.13 65.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.774 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.657 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -94.59 67.39 3.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.434 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.455 HG11 ' O ' ' A' 1573 ' ' VAL . 7.2 p 36.9 79.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.829 -179.667 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.729 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -107.0 129.73 54.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.844 179.559 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.507 ' O ' HD21 ' A' 1563 ' ' LEU . 45.9 mt-10 -140.09 145.2 37.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.52 127.93 34.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.65 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.619 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.0 t70 64.77 38.0 7.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 40.6 t -91.39 -171.53 2.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.54 179.554 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -108.38 133.67 52.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.583 179.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.748 HD11 ' HE1' ' A' 1582 ' ' PHE . 28.8 pt -140.33 149.97 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 111.646 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 34.8 m -142.54 114.54 8.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.753 179.749 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.748 ' HE1' HD11 ' A' 1580 ' ' ILE . 88.9 m-85 -100.31 133.08 45.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.736 HD11 HD11 ' A' 1618 ' ' ILE . 50.1 pt -123.35 146.74 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.538 ' HD3' HD22 ' A' 1621 ' ' LEU . 21.8 pttp -149.26 -168.16 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.002 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -111.02 178.6 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.937 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 1586 ' ' VAL . . . . . 0.652 HG23 HG13 ' A' 1555 ' ' VAL . 24.2 m -90.78 -0.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 67.3 p -72.7 -22.16 60.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.989 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.51 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 75.8 m -58.13 122.11 12.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.74 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 94.3 m -104.16 -39.82 6.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.593 -179.61 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 12.7 m120 -96.13 14.5 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.42 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.491 ' HB2' ' HB3' ' A' 1588 ' ' CYS . . . -100.22 136.23 40.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 179.809 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -161.25 130.05 4.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 91.1 mt -135.87 135.83 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.653 HG13 ' HH ' ' A' 1599 ' ' TYR . 7.1 p -117.39 138.86 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.689 ' HZ2' ' HB2' ' A' 1595 ' ' LYS . 0.0 OUTLIER -72.97 129.74 38.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 -179.881 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 117.39 -51.05 0.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.804 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 168.47 14.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.058 0.456 . . . . 0.0 111.304 -179.733 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.419 ' HG2' HD11 ' A' 1564 ' ' LEU . 99.4 mt-30 -106.01 152.67 23.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.779 179.908 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.653 ' HH ' HG13 ' A' 1594 ' ' VAL . 97.0 m-85 -147.88 145.68 28.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.319 -179.832 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.502 ' O ' ' HA ' ' A' 1627 ' ' ILE . 57.8 tp -93.95 132.64 38.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.138 179.398 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.568 HG23 ' HE1' ' A' 1541 ' ' TYR . 78.0 mt -127.69 123.28 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.0 0.429 . . . . 0.0 111.926 -179.294 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.475 ' SD ' ' HB3' ' A' 1542 ' ' ALA . 28.1 mtm -140.67 117.62 11.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.053 179.2 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.621 ' N ' HG22 ' A' 1539 ' ' ILE . . . 177.32 -166.39 36.88 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.427 -179.676 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.636 ' HZ1' ' HA ' ' A' 1538 ' ' GLU . 73.8 mmtt -51.9 162.14 0.48 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.96 0.41 . . . . 0.0 111.408 -179.799 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.657 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 13.6 pt-20 -81.96 -178.69 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.727 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.493 ' HB3' ' CD2' ' A' 1619 ' ' TYR . . . -89.88 -179.79 5.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.044 179.73 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.559 ' H ' HD21 ' A' 1607 ' ' LEU . 1.4 pt? -127.97 117.4 21.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.828 -179.943 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.638 0.256 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.736 HD11 HD11 ' A' 1583 ' ' ILE . 16.4 pt 37.92 97.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.114 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' 1606 ' ' ALA . 30.9 m-85 -55.97 140.58 69.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.011 -179.679 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.87 175.57 11.14 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.611 2.207 . . . . 0.0 112.197 179.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.538 HD22 ' HD3' ' A' 1584 ' ' LYS . 41.6 tp -154.75 92.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.833 ' HB2' HD11 ' A' 1624 ' ' LEU . 9.6 m-20 -116.8 -160.32 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.777 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 77.6 p -83.68 14.33 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.509 -179.572 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.833 HD11 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -111.5 -13.47 13.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.726 0.298 . . . . 0.0 110.918 179.798 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.606 ' N ' HD13 ' A' 1624 ' ' LEU . 57.4 m -76.53 118.91 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.415 ' O ' ' HA ' ' A' 1601 ' ' ILE . 69.4 t-105 -81.85 110.89 17.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' 1600 ' ' LEU . 68.5 mt -123.27 119.45 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.495 ' HG2' ' NH1' ' A' 1530 ' ' ARG . 10.2 tp10 -123.71 139.52 53.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.98 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.442 ' O ' ' HD3' ' A' 1631 ' ' PRO . 10.6 t80 -65.3 123.38 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -106.67 95.52 12.3 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.24 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.512 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 78.3 Cg_exo -50.35 97.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.623 2.216 . . . . 0.0 112.427 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -62.17 -28.92 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -87.63 153.6 21.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 179.991 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.796 ' HA ' HD23 ' A' 1643 ' ' LEU . 4.1 pt20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -66.09 -21.98 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.512 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 30.8 t80 -91.4 -37.06 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.789 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.9 mm? -64.55 -25.88 68.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -64.18 -31.28 72.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -79.16 -38.78 35.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 179.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 88.7 mt -70.43 -22.1 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.57 -47.28 84.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.771 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.4 -33.68 76.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.657 179.767 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.465 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 87.5 t80 -65.38 -36.71 84.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -71.86 -28.44 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.188 -179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -95.37 -4.97 44.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 -179.483 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.673 ' HA ' HD21 ' A' 1656 ' ' ASN . 18.8 t70 -96.86 -14.71 21.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.59 HD12 ' HE2' ' A' 1531 ' ' LYS . 6.4 tp -102.3 -30.91 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.734 179.668 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.9 t80 -82.52 -44.45 15.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.857 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.2 tt -90.22 -70.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 -179.74 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.673 HD21 ' HA ' ' A' 1652 ' ' ASP . 17.0 m-80 -61.26 -40.97 96.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.258 -179.815 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 61.55 -140.01 47.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.387 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.88 179.836 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.488 ' HB3' ' HB2' ' A' 1516 ' ' GLN . 8.6 m-20 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.54 0.21 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' 1588 ' ' CYS . 42.5 t 52.59 30.6 8.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.494 0.664 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.435 ' HA2' ' C ' ' A' 1622 ' ' ASP . . . 122.85 44.3 0.34 Allowed Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.631 -179.141 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.488 ' HB2' ' HB3' ' A' 1513 ' ' ASP . 28.2 tt0 -47.4 132.44 13.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.413 -0.393 . . . . 0.0 111.295 -179.605 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.403 ' HE2' HG23 ' A' 1627 ' ' ILE . 83.0 mtp -98.06 179.39 4.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.737 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -90.49 158.03 17.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.78 171.83 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.184 -179.8 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -81.26 -152.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.801 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' 1642 ' ' PHE . 86.1 mt -54.89 103.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -147.99 127.94 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' 1641 ' ' ALA . 88.0 mt -85.64 6.78 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 82.4 p -65.06 -30.03 70.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.75 133.36 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1526 ' ' SER . . . . . 0.437 ' HB2' ' OG1' ' A' 1529 ' ' THR . 54.6 m -88.21 -175.55 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -79.43 -62.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.646 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.4 mt-10 -58.26 -27.38 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 -179.895 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1529 ' ' THR . . . . . 0.437 ' OG1' ' HB2' ' A' 1526 ' ' SER . 89.0 m -58.93 -42.72 90.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -106.78 10.19 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.656 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 25.2 tptp -97.53 -36.04 10.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.763 179.871 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' 1528 ' ' GLU . 96.5 mt-30 -63.31 -10.6 16.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 179.531 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.806 ' HA ' ' HD3' ' A' 1536 ' ' LYS . 58.5 m -82.28 -28.19 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.798 179.61 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.32 -13.99 44.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.049 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 30.5 t -118.73 0.92 11.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.698 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.806 ' HD3' ' HA ' ' A' 1533 ' ' THR . 11.3 mtpp -59.41 156.23 32.05 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.077 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.34 -45.33 18.98 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.724 2.282 . . . . 0.0 112.72 -179.731 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.633 ' HG3' HD11 ' A' 1539 ' ' ILE . 6.2 pt-20 -73.8 3.58 6.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.289 -179.798 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.745 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -116.23 114.09 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.876 0.37 . . . . 0.0 110.751 179.299 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.418 ' HB3' ' N ' ' A' 1605 ' ' GLU . . . -95.46 -42.14 8.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.245 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.54 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.0 OUTLIER -125.13 164.21 20.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.284 0.564 . . . . 0.0 111.945 -179.424 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -155.06 97.83 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.755 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.585 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 5.5 p90 -139.85 176.54 8.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 0.0 111.83 -178.859 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.499 ' HZ1' ' NE2' ' A' 1598 ' ' GLN . 61.6 tttm -119.64 134.05 55.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.433 179.739 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.807 HG11 ' HA ' ' A' 1563 ' ' LEU . 6.1 m -133.36 177.88 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 111.521 -179.516 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.417 ' HB2' HD13 ' A' 1564 ' ' LEU . 9.5 t -140.16 129.79 24.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.633 179.629 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.405 ' CG2' ' HA ' ' A' 1595 ' ' LYS . 36.6 mm -65.11 140.19 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.778 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 53.2 p -131.62 -22.72 2.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.538 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.613 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 70.0 m -155.79 145.95 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.01 0.433 . . . . 0.0 111.235 -179.518 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.5 mt -130.65 121.27 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.6 m -120.31 139.01 53.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 6.9 p -113.52 136.69 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -112.59 -165.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.704 179.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.7 m120 -57.01 -42.04 79.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.428 HG21 ' H ' ' A' 1556 ' ' PHE . 5.2 m -144.27 -50.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.448 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.565 ' HE1' ' HE2' ' A' 1585 ' ' LYS . 83.9 m-85 -78.82 105.28 10.03 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 111.187 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' 1584 ' ' LYS . 7.7 p -81.64 136.28 23.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.689 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.591 ' HE2' HD13 ' A' 1583 ' ' ILE . 35.1 mmtp -108.77 154.1 22.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.092 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.837 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 91.9 m-85 -136.05 102.02 4.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.717 179.712 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.613 ' HB3' ' HB2' ' A' 1549 ' ' SER . 4.5 tppp? -77.47 123.64 26.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -143.39 162.06 36.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.42 . . . . 0.0 111.562 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.5 m -107.16 138.71 42.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.12 179.744 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.807 ' HA ' HG11 ' A' 1545 ' ' VAL . 19.7 tp -79.82 109.9 14.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.603 179.644 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' 1545 ' ' VAL . 9.6 mp -63.62 -47.97 79.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.158 -179.675 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' 1543 ' ' TYR . 19.3 t70 -169.45 161.06 9.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.585 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 55.7 mt -107.81 124.59 64.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.831 -179.801 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.475 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 96.6 m-85 -99.06 -15.96 18.84 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.515 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.531 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 24.0 tptm -154.63 110.66 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.818 179.324 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 89.0 m -43.67 146.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.889 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.717 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -105.03 135.25 12.45 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.447 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.54 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 14.2 mm-40 -59.53 -27.15 65.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.745 179.825 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' A' 1605 ' ' GLU . . . -95.03 67.97 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.557 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' 1573 ' ' VAL . 5.7 p 36.88 85.0 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.076 -179.79 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.717 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -106.46 133.3 51.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.647 179.393 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.52 ' O ' HD21 ' A' 1563 ' ' LEU . 10.1 tp10 -145.18 135.2 23.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.644 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 96.3 mttt -50.4 136.29 20.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.594 ' HA ' ' O ' ' A' 1563 ' ' LEU . 16.1 t70 64.91 40.22 5.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.957 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.522 ' H ' ' HB3' ' A' 1563 ' ' LEU . 30.1 t -87.2 -167.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.466 179.524 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -122.52 113.07 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 179.751 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.625 HD13 HG12 ' A' 1545 ' ' VAL . 28.7 pt -110.49 145.84 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.667 -179.552 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 17.8 m -129.97 98.1 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.45 179.374 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.867 ' HB3' HD21 ' A' 1621 ' ' LEU . 25.0 m-85 -65.19 153.69 40.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 -179.67 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.664 HG22 HD12 ' A' 1618 ' ' ILE . 6.1 tt -144.08 106.84 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.812 179.766 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.567 ' HG2' ' N ' ' A' 1585 ' ' LYS . 33.7 ttpt -125.53 161.76 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.828 -179.478 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.567 ' N ' ' HG2' ' A' 1584 ' ' LYS . 0.4 OUTLIER -91.19 136.98 32.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 179.478 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 31.4 m -77.8 9.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 -179.791 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 8.4 t -117.01 9.16 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.29 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' 1514 ' ' CYS . 62.6 m -66.29 -38.76 88.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.995 0.426 . . . . 0.0 111.181 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 6.8 m 56.81 51.97 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.328 179.802 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.447 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 25.3 t-20 -164.83 -71.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.094 179.6 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -61.42 136.55 58.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.007 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -157.74 103.82 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' 1593 ' ' LEU . 3.8 mp -100.09 170.65 8.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.671 179.707 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.483 ' H ' ' HH ' ' A' 1599 ' ' TYR . 7.6 p -136.55 141.18 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.405 ' HA ' ' CG2' ' A' 1547 ' ' ILE . 26.6 ttpp -70.44 145.05 51.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 -179.807 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1596 ' ' GLY . . . . . 0.409 ' O ' ' HD2' ' A' 1632 ' ' ARG . . . 100.02 -31.91 7.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.677 179.871 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.46 168.91 16.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.906 0.384 . . . . 0.0 111.332 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.532 ' NE2' ' HA ' ' A' 1632 ' ' ARG . 20.8 mt-30 -114.08 144.64 42.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.589 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.483 ' HH ' ' H ' ' A' 1594 ' ' VAL . 94.3 m-85 -138.67 158.98 43.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.027 0.442 . . . . 0.0 111.498 -179.583 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.442 ' C ' HD11 ' A' 1601 ' ' ILE . 59.2 tp -105.89 134.88 48.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.31 179.513 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.515 HD11 ' N ' ' A' 1601 ' ' ILE . 3.3 mp -118.33 131.51 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 111.771 -179.261 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.736 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 75.3 mtp -146.03 107.81 4.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.209 179.5 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.745 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -177.67 -175.0 44.52 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 119.907 -1.139 . . . . 0.0 113.518 -179.575 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' 1605 ' ' GLU . 4.7 tppp? -54.4 161.32 1.43 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.789 0.328 . . . . 0.0 111.26 -179.679 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.1 pt-20 -58.45 176.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.363 -179.796 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -76.97 177.01 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.344 -179.785 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.599 HD23 ' HD3' ' A' 1620 ' ' PRO . 4.3 mm? -88.71 -158.55 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.832 179.822 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.64 ' HA ' ' HD1' ' A' 1617 ' ' TYR . 8.9 tt0 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.808 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.64 ' HD1' ' HA ' ' A' 1608 ' ' GLN . 7.5 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.743 0.306 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.664 HD12 HG22 ' A' 1583 ' ' ILE . 36.1 pt -142.0 174.07 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.423 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' 1582 ' ' PHE . 45.1 m-85 -129.12 113.6 18.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.121 -179.535 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1620 ' ' PRO . . . . . 0.645 ' HA ' HG23 ' A' 1583 ' ' ILE . 84.4 Cg_endo -80.45 168.24 18.38 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.789 2.326 . . . . 0.0 112.375 -179.828 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.867 HD21 ' HB3' ' A' 1582 ' ' PHE . 2.8 mm? -120.03 97.21 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.435 ' C ' ' HA2' ' A' 1515 ' ' GLY . 10.6 m-20 -125.26 176.44 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 43.2 t -64.69 -25.87 68.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.532 HD11 ' N ' ' A' 1625 ' ' THR . 4.5 pp -72.72 -32.71 65.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.633 179.781 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.532 ' N ' HD11 ' A' 1624 ' ' LEU . 54.5 m -78.62 104.04 8.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.736 ' HB3' ' HB2' ' A' 1602 ' ' MET . 45.0 t-105 -61.68 119.84 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.862 179.902 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.507 HD12 HD12 ' A' 1621 ' ' LEU . 60.7 mt -127.65 108.92 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.786 179.849 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -114.89 147.68 39.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 12.3 t80 -90.35 110.09 21.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.0 t90 -98.13 107.12 39.36 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.259 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.465 ' HB2' HD22 ' A' 1643 ' ' LEU . 71.6 Cg_exo -48.49 106.48 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.593 2.195 . . . . 0.0 112.499 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1632 ' ' ARG . . . . . 0.532 ' HA ' ' NE2' ' A' 1598 ' ' GLN . 78.5 ttt180 -52.56 -33.86 47.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.023 179.831 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.25 168.49 10.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.822 HG21 HD11 ' A' 1643 ' ' LEU . 64.1 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.487 ' HG2' HD12 ' A' 1643 ' ' LEU . 49.8 mt-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1641 ' ' ALA . . . . . 0.409 ' O ' HD21 ' A' 1523 ' ' LEU . . . -61.18 -22.79 65.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.583 ' HB3' HD21 ' A' 1521 ' ' LEU . 77.4 t80 -117.59 -14.17 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.639 179.888 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.822 HD11 HG21 ' A' 1634 ' ' THR . 62.8 mt -81.72 5.23 19.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -106.64 -56.67 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -64.29 -22.02 66.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 57.5 tp -85.52 -23.58 27.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.728 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.06 -38.11 78.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.594 179.881 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.28 -32.9 73.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.64 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.656 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 75.9 t80 -61.89 -35.09 77.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.31 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.203 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -78.54 -5.4 52.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.162 -179.441 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.785 ' HA ' HD22 ' A' 1656 ' ' ASN . 17.2 t70 -96.69 -9.85 28.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.721 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.859 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 8.3 tp -118.18 -21.14 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.128 0.489 . . . . 0.0 110.464 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -87.38 -30.21 20.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.005 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 2.6 tm? -99.24 -72.95 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.078 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.785 HD22 ' HA ' ' A' 1652 ' ' ASP . 1.7 p30 -82.97 -39.41 21.4 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.705 -179.198 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.859 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 62.3 -132.89 45.34 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.409 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.901 179.893 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.965 0.412 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.699 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 18.2 t -86.24 126.88 34.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.65 179.717 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 86.7 -50.63 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.098 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.549 ' H ' HD22 ' A' 1590 ' ' ASN . 36.0 tt0 55.19 100.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.349 . . . . 0.0 111.37 179.849 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.438 ' HE2' ' HA ' ' A' 1591 ' ' ALA . 26.4 mmt -90.6 150.39 21.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -93.0 165.3 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.62 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 46.2 mt-10 -64.76 153.82 38.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.9 133.46 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' 1523 ' ' LEU . 86.6 mt 57.82 22.46 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.62 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 21.9 t70 -60.39 103.81 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.762 179.858 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' 1521 ' ' LEU . 74.7 mt -102.74 97.47 7.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.5 t -174.54 -19.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.999 179.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 63.5 mt -76.89 137.76 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 49.0 m -76.09 177.92 6.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -89.52 -3.78 58.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' 1532 ' ' GLN . 15.4 mm-40 -104.07 -23.43 13.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.039 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 61.9 m -67.23 -37.04 82.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.433 ' O ' ' HE3' ' A' 1602 ' ' MET . 7.4 ptp180 -98.51 8.47 44.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 -179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.564 ' HE2' HD11 ' A' 1653 ' ' ILE . 26.3 tptp -106.35 -42.1 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.998 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.2 mt-30 -61.6 -18.8 60.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.969 0.414 . . . . 0.0 110.508 179.676 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.715 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 41.6 m -79.2 -25.08 42.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.809 179.754 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -65.82 -54.35 28.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 179.853 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1535 ' ' CYS . . . . . 0.457 ' HA ' ' HE3' ' A' 1568 ' ' LYS . 34.2 t -84.67 9.58 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.688 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.715 ' HE3' ' HA ' ' A' 1533 ' ' THR . 3.5 tppp? -57.44 135.34 81.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.83 -22.35 23.39 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.511 2.141 . . . . 0.0 112.112 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.748 ' HG3' ' HE2' ' A' 1604 ' ' LYS . 33.7 tt0 -86.86 -58.54 2.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.818 179.794 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.859 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.8 mp -59.43 121.61 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.093 -179.79 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.567 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -83.59 -60.71 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.474 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.508 ' HE1' HG21 ' A' 1601 ' ' ILE . 3.6 p90 -107.13 155.63 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.09 0.472 . . . . 0.0 111.671 -179.412 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.506 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.08 100.52 3.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.382 179.8 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.764 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.8 p90 -155.05 170.38 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.028 0.442 . . . . 0.0 111.683 -179.444 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 65.8 pttt -106.92 141.35 38.27 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.164 179.407 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.857 HG13 ' HA ' ' A' 1563 ' ' LEU . 19.5 m -136.91 -173.82 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.638 -179.363 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.585 ' HB2' ' HG3' ' A' 1598 ' ' GLN . 23.3 t -152.2 128.27 10.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.77 179.763 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.438 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 43.1 mm -61.95 137.54 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.72 179.906 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1548 ' ' THR . . . . . 0.45 ' O ' ' HE2' ' A' 1595 ' ' LYS . 70.4 p -133.49 -13.03 2.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.68 -179.591 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.643 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 41.3 t -154.64 154.44 32.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 111.497 -179.911 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.447 HG12 ' HD1' ' A' 1559 ' ' TYR . 78.4 mt -141.16 140.06 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 83.3 m -147.6 116.58 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.7 p -96.15 140.84 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -109.68 -168.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.746 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1554 ' ' ASN . . . . . 0.491 ' ND2' HG21 ' A' 1555 ' ' VAL . 16.7 p-10 -59.49 -59.36 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.59 HG11 ' HB ' ' A' 1586 ' ' VAL . 25.3 t -113.4 -49.95 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.078 -179.672 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -84.14 176.6 8.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.043 -179.893 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.829 ' HB ' ' HB3' ' A' 1584 ' ' LYS . 13.1 t -135.34 161.53 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.552 179.892 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.882 ' HG2' HG21 ' A' 1583 ' ' ILE . 96.7 mttt -142.61 143.54 32.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.447 ' HD1' HG12 ' A' 1550 ' ' ILE . 94.1 m-85 -133.19 131.71 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.643 ' HB3' ' HB3' ' A' 1549 ' ' SER . 4.9 tmtp? -109.58 100.97 9.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.353 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -113.13 168.05 10.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.527 -179.541 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.8 m -113.57 138.2 50.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.91 179.527 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.857 ' HA ' HG13 ' A' 1545 ' ' VAL . 2.4 tt -73.49 137.79 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.85 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.597 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.1 mp -94.72 -47.72 6.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.8 t70 -165.54 137.52 4.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.764 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 69.0 mt -97.2 125.37 50.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.972 0.415 . . . . 0.0 111.866 -179.595 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.479 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 83.3 m-85 -98.98 -12.81 20.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.404 178.629 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.506 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 64.8 tttm -160.39 112.48 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.95 179.393 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 14.3 t -46.51 156.68 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 111.774 -179.371 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.515 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -101.76 140.91 15.08 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.161 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.567 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 38.5 mt-10 -51.88 -30.51 24.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 0.0 110.221 179.669 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -92.9 47.73 1.3 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.77 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' 1573 ' ' VAL . 7.6 p 41.22 84.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.796 -179.349 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.515 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -84.73 135.12 34.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.629 179.671 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.703 ' HB3' ' HB2' ' A' 1578 ' ' SER . 41.1 tt0 -114.97 139.41 49.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.835 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.703 ' HZ2' ' HB3' ' A' 1576 ' ' LYS . 5.9 ttpm? -61.25 125.39 23.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.31 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.712 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.3 t70 65.83 28.63 10.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.075 0.464 . . . . 0.0 110.807 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.703 ' HB2' ' HB3' ' A' 1575 ' ' GLU . 30.5 t -71.36 -178.46 2.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.621 179.385 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -103.86 104.66 14.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.655 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.696 HD13 HG11 ' A' 1545 ' ' VAL . 32.2 pt -94.87 146.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.341 -179.673 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1581 ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' 1559 ' ' TYR . 39.8 m -137.1 105.48 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.808 179.662 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.643 ' HE1' HD11 ' A' 1580 ' ' ILE . 62.2 m-85 -101.64 121.91 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 -179.783 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.882 HG21 ' HG2' ' A' 1558 ' ' LYS . 43.4 pt -97.57 128.59 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 179.799 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.829 ' HB3' ' HB ' ' A' 1557 ' ' VAL . 40.8 ttmt -92.46 152.17 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.921 -179.797 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.483 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 97.4 mttt -92.85 178.98 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.635 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1586 ' ' VAL . . . . . 0.59 ' HB ' HG11 ' A' 1555 ' ' VAL . 9.0 p -89.04 4.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.46 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.8 p -109.75 -36.32 5.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.409 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.699 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.1 m -58.97 101.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.029 -179.815 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 6.9 t -105.42 -29.63 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.07 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.549 HD22 ' H ' ' A' 1516 ' ' GLN . 2.4 p-10 -83.63 -24.02 31.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.438 ' HA ' ' HE2' ' A' 1517 ' ' MET . . . -83.56 103.87 13.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1592 ' ' GLU . . . . . 0.409 ' O ' ' HE1' ' A' 1517 ' ' MET . 21.5 mm-40 -121.61 151.08 40.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.967 -179.859 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 95.9 mt -130.06 114.73 16.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 179.81 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 59.7 t -96.03 139.18 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 -179.896 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.6 tttm -80.15 139.84 36.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.817 179.887 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 111.94 -68.72 0.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.53 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.445 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 14.7 ptp180 -66.42 178.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.678 HE22 ' HA ' ' A' 1632 ' ' ARG . 1.0 OUTLIER -110.07 165.52 11.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 111.3 -179.615 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.445 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 71.9 m-85 -149.63 134.04 17.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.649 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 60.4 tp -79.29 132.17 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.276 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.508 HG21 ' HE1' ' A' 1541 ' ' TYR . 44.5 mm -123.33 119.01 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.986 0.422 . . . . 0.0 111.689 -179.467 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.433 ' HE3' ' O ' ' A' 1530 ' ' ARG . 77.8 mtp -141.23 113.22 7.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.255 179.495 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.859 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 177.57 -170.29 42.67 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.006 -1.092 . . . . 0.0 113.425 -179.636 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.748 ' HE2' ' HG3' ' A' 1538 ' ' GLU . 65.6 mmtt -50.54 157.96 0.68 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.861 0.362 . . . . 0.0 111.258 -179.915 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.415 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 0.0 OUTLIER -71.9 -179.88 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.782 179.899 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -90.44 155.79 18.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' 1617 ' ' TYR . 8.6 mp -60.37 174.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.837 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.719 ' HG3' ' HE1' ' A' 1617 ' ' TYR . 59.5 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.701 -179.758 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.719 ' HE1' ' HG3' ' A' 1608 ' ' GLN . 11.3 m-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.803 0.335 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 47.2 mm -125.27 131.12 72.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -92.65 108.22 29.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.0 171.92 16.96 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.555 2.17 . . . . 0.0 112.458 -179.891 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' 1582 ' ' PHE . 99.0 mt -143.92 110.14 5.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' 1624 ' ' LEU . 5.5 p-10 -141.43 -160.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.053 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.3 p -82.51 42.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.614 -179.504 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' 1625 ' ' THR . 0.0 OUTLIER -143.47 -17.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 179.636 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.484 ' N ' HD23 ' A' 1624 ' ' LEU . 40.0 m -73.05 118.86 16.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.267 -179.777 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -84.55 100.6 11.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.627 179.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.462 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.0 mt -112.64 128.28 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.649 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 40.8 tt0 -128.17 155.96 43.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 22.6 t80 -90.75 114.69 27.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.821 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.657 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 5.2 t-105 -94.71 111.21 53.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.371 179.625 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.486 ' HB2' HD22 ' A' 1643 ' ' LEU . 79.4 Cg_exo -47.56 104.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.47 2.113 . . . . 0.0 112.548 -179.807 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1632 ' ' ARG . . . . . 0.678 ' HA ' HE22 ' A' 1598 ' ' GLN . 79.7 ttt180 -59.35 -27.43 65.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.792 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.11 146.47 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.515 HG23 ' HG ' ' A' 1643 ' ' LEU . 71.1 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.529 ' HA ' HD23 ' A' 1643 ' ' LEU . 4.8 tp-100 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.776 0.322 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -54.45 -33.18 59.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.533 -179.495 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 36.6 t80 -68.52 -40.97 80.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 110.817 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.9 mm? -67.7 -17.95 64.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.03 -49.74 22.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.86 -14.17 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.651 179.848 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 59.5 tp -96.29 -22.29 17.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.67 -33.76 73.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.22 -40.0 88.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.691 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.519 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 84.1 t80 -64.55 -30.38 71.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -66.67 -58.51 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.349 -179.868 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -70.64 -8.69 53.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.272 -179.451 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.512 ' HA ' HD21 ' A' 1656 ' ' ASN . 17.2 t70 -77.22 -71.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.696 HD12 ' HA2' ' A' 1657 ' ' GLY . 7.0 tp -57.7 -29.96 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.413 . . . . 0.0 110.998 179.869 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.06 -49.68 59.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.98 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.67 -71.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.648 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.512 HD21 ' HA ' ' A' 1652 ' ' ASP . 20.4 m-80 -56.82 -72.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.226 -179.871 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.696 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.3 -176.36 47.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 -179.865 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.893 -179.969 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.813 0.339 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.515 ' HB3' ' HB2' ' A' 1588 ' ' CYS . 12.0 p -88.89 21.44 3.08 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.468 0.651 . . . . 0.0 110.144 179.595 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.806 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 132.44 78.2 0.14 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.246 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -54.37 103.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.633 ' HE2' ' HA ' ' A' 1591 ' ' ALA . 21.6 ptp -69.13 168.04 14.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.47 -178.32 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.98 -178.7 1.04 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.74 -88.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 67.1 mt -98.16 100.73 12.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -145.83 110.26 5.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 48.3 mt -78.6 6.11 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.639 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 74.4 p -67.16 -21.59 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 66.5 mt -98.46 135.8 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.4 t -91.4 165.1 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -68.16 -24.33 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.2 mt-10 -93.59 -26.77 16.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 79.1 m -61.7 -41.88 98.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.428 ' NH1' ' HG2' ' A' 1628 ' ' GLU . 16.0 ptp180 -85.79 -11.06 54.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.557 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.3 tmtp? -83.81 -26.84 29.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.48 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.0 mm-40 -53.53 -22.61 8.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 179.628 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.894 ' HA ' ' HD3' ' A' 1536 ' ' LYS . 62.4 m -82.53 -34.93 27.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.741 179.61 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.431 ' HA ' HG21 ' A' 1539 ' ' ILE . . . -63.06 -10.56 14.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1535 ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 44.2 t -120.38 65.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.056 0.455 . . . . 0.0 110.739 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.894 ' HD3' ' HA ' ' A' 1533 ' ' THR . 14.9 mtpp -143.37 155.68 60.96 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.01 -34.53 80.36 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.624 ' HG3' HD13 ' A' 1539 ' ' ILE . 4.4 pt-20 -77.3 -6.07 51.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.843 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.1 mp -110.27 115.74 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.645 179.331 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -92.96 -54.95 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.696 -179.783 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.491 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.9 p90 -116.46 167.91 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.234 0.54 . . . . 0.0 112.171 -178.915 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' 1602 ' ' MET . . . -159.0 107.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.798 179.095 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.563 ' HA ' ' HD1' ' A' 1567 ' ' TYR . 1.2 p90 -157.83 178.32 10.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.133 0.492 . . . . 0.0 111.774 -178.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' 1564 ' ' LEU . 26.8 ttpp -109.61 132.06 54.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.315 179.732 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.837 HG12 ' HA ' ' A' 1563 ' ' LEU . 29.9 m -131.53 178.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.491 -179.674 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.45 ' HB3' HD23 ' A' 1564 ' ' LEU . 22.9 t -147.95 124.88 11.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.716 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.8 mm -61.53 145.81 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 -179.896 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 6.9 t -150.1 -10.37 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.256 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.675 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 54.4 m -145.61 137.07 25.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.036 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.506 HG12 ' HD1' ' A' 1559 ' ' TYR . 74.3 mt -135.57 128.87 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.1 m -114.78 110.38 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 90.2 t -110.43 122.52 65.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.666 179.604 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -108.81 -68.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -165.63 -58.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 27.7 t -109.96 -50.98 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -87.29 120.03 28.15 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.901 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 44.4 t -109.28 147.93 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.829 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.3 mttt -131.65 152.97 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.014 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.506 ' HD1' HG12 ' A' 1550 ' ' ILE . 97.2 m-85 -137.4 98.71 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.675 ' HB2' ' HB2' ' A' 1549 ' ' SER . 61.1 mttp -85.95 126.15 33.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.335 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -132.42 177.93 7.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 111.718 -179.442 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -117.64 145.71 44.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.733 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.837 ' HA ' HG12 ' A' 1545 ' ' VAL . 15.8 tp -77.71 119.61 21.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.971 0.415 . . . . 0.0 110.289 179.181 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' 1545 ' ' VAL . 0.7 OUTLIER -78.32 -38.39 42.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.773 -179.681 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.4 t70 -172.71 146.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.592 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.729 HG12 HD23 ' A' 1563 ' ' LEU . 52.8 mt -90.49 130.52 39.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.745 -179.767 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.563 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 64.6 m-85 -111.52 -19.8 12.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.128 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.481 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 63.4 tttm -160.3 107.05 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.568 179.116 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 41.7 m -40.81 141.12 0.62 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.055 -179.167 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.687 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -104.22 135.26 12.36 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.397 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.05 -19.25 51.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.47 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.481 ' HA ' ' HH ' ' A' 1617 ' ' TYR . . . -85.03 54.1 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.434 179.336 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' 1573 ' ' VAL . 9.3 p 42.89 39.4 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.594 -179.804 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.687 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -63.37 136.69 57.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.77 179.664 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.577 ' C ' HD11 ' A' 1566 ' ' ILE . 12.8 pt-20 -145.99 154.38 41.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.767 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.547 ' N ' HD11 ' A' 1566 ' ' ILE . 55.8 mtpt -47.01 131.23 12.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.308 -179.508 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.667 ' HA ' ' O ' ' A' 1563 ' ' LEU . 5.5 p-10 42.5 63.36 1.44 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.484 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.625 ' H ' ' HB3' ' A' 1563 ' ' LEU . 51.9 p -98.98 -167.35 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.744 179.662 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -111.54 133.1 54.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.517 179.607 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.772 HD12 ' HE2' ' A' 1582 ' ' PHE . 16.5 pt -134.2 149.7 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.455 -179.464 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 27.6 m -136.62 102.08 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.838 179.703 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.772 ' HE2' HD12 ' A' 1580 ' ' ILE . 78.5 m-85 -93.7 114.99 27.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.167 -179.881 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.829 HG22 ' HG2' ' A' 1558 ' ' LYS . 42.7 pt -100.84 144.85 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.612 ' HE3' ' HB3' ' A' 1588 ' ' CYS . 0.1 OUTLIER -149.91 162.44 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 -179.798 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -86.38 156.1 20.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.7 p -61.71 -27.61 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.9 p -63.93 -23.75 67.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.612 ' HB3' ' HE3' ' A' 1584 ' ' LYS . 34.3 t -63.4 91.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 8.8 t -104.75 -0.76 27.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -97.03 -24.5 15.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.034 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.633 ' HA ' ' HE2' ' A' 1517 ' ' MET . . . -118.93 106.15 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.227 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -125.18 142.47 51.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.73 179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.631 HD13 HD12 ' A' 1547 ' ' ILE . 80.4 mt -116.31 158.1 23.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.832 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' 1597 ' ' ARG . 47.0 t -119.88 139.56 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.035 -179.871 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 62.8 tttp -63.82 107.1 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.611 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 90.93 43.53 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.181 -179.726 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.546 HH21 ' HH ' ' A' 1629 ' ' TYR . 10.6 tpt180 -127.56 145.53 50.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.608 0.242 . . . . 0.0 110.741 -179.789 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -91.55 129.88 37.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' 1597 ' ' ARG . 73.4 m-85 -137.39 159.25 42.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.259 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' 1601 ' ' ILE . 3.0 tt -102.61 129.59 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.884 179.396 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.511 ' N ' HD22 ' A' 1600 ' ' LEU . 93.8 mt -134.73 126.95 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.093 0.473 . . . . 0.0 112.087 -179.212 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.587 ' HG3' ' HB3' ' A' 1626 ' ' TRP . 0.2 OUTLIER -153.65 115.42 4.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.425 178.898 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.843 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 173.99 -157.25 25.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.333 -179.699 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 23.0 tptm -44.6 154.07 0.14 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.017 0.437 . . . . 0.0 111.956 -179.302 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.44 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 13.7 pt-20 -92.53 -167.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -119.59 124.56 46.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.032 179.811 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' 1607 ' ' LEU . 3.4 mm? -108.46 108.63 19.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.741 ' HG3' ' H ' ' A' 1618 ' ' ILE . 17.8 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.099 0.476 . . . . 0.0 110.634 -179.723 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.6 ' HD1' ' HB2' ' A' 1608 ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.899 0.38 . . . . 0.0 111.091 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.741 ' H ' ' HG3' ' A' 1608 ' ' GLN . 38.8 pt -120.49 128.31 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.494 179.349 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.588 ' O ' ' HA ' ' A' 1582 ' ' PHE . 6.1 m-85 -82.42 127.29 71.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.166 -179.188 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -77.36 170.61 19.13 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.586 2.191 . . . . 0.0 112.243 179.8 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' 1584 ' ' LYS . 29.5 tp -139.68 94.94 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -122.93 -172.9 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1623 ' ' SER . . . . . 0.806 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 47.3 t -83.27 7.24 16.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.598 HD11 ' N ' ' A' 1625 ' ' THR . 4.6 pp -92.78 -30.81 15.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 179.828 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.598 ' N ' HD11 ' A' 1624 ' ' LEU . 52.9 m -79.65 134.06 36.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.343 -179.645 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.587 ' HB3' ' HG3' ' A' 1602 ' ' MET . 59.5 t-105 -77.69 127.62 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.504 HD12 HD13 ' A' 1621 ' ' LEU . 60.8 mt -132.71 114.55 22.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.831 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.428 ' HG2' ' NH1' ' A' 1530 ' ' ARG . 9.9 tp10 -130.48 118.13 20.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.546 ' HH ' HH21 ' A' 1597 ' ' ARG . 29.2 t80 -56.68 132.59 52.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 179.897 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -100.39 104.24 28.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.216 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.712 ' HB2' HD12 ' A' 1643 ' ' LEU . 74.6 Cg_exo -49.35 102.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.633 2.222 . . . . 0.0 112.581 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -77.59 -26.1 50.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -90.98 132.1 36.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.933 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.671 ' HA ' HD22 ' A' 1643 ' ' LEU . 47.8 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.815 0.341 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.73 69.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.229 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.475 ' O ' ' HG ' ' A' 1646 ' ' LEU . 56.2 t80 -70.95 -36.71 72.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.712 HD12 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -66.41 -42.01 88.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.83 92.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.007 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.1 -30.18 71.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1642 ' ' PHE . 92.0 mt -70.55 -29.71 66.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.696 179.768 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.53 -32.45 73.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.553 179.663 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.93 -31.69 71.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.595 179.666 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' 1653 ' ' ILE . 77.0 t80 -74.25 -33.75 63.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.707 179.824 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.58 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.425 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -99.65 -4.67 30.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.508 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.536 ' O ' ' HB2' ' A' 1656 ' ' ASN . 19.8 t70 -95.59 -13.98 23.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.48 HG21 ' O ' ' A' 1649 ' ' PHE . 9.5 tp -111.41 -25.65 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.817 179.865 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.3 t80 -85.91 -50.11 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.438 HD21 ' O ' ' A' 1655 ' ' LEU . 4.9 tt -73.67 -48.31 33.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.527 -179.578 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.641 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -78.37 -71.37 0.43 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.145 -179.626 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 66.58 86.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.398 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A 1658 ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 42.9 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.45 ' HA ' ' CG ' ' A' 1590 ' ' ASN . 8.3 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.566 0.222 . . . . 0.0 111.371 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.568 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 37.0 t 48.84 78.75 0.08 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.063 0.459 . . . . 0.0 110.236 -179.34 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 102.28 43.62 2.0 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.607 -179.089 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.402 ' HG2' ' HB3' ' A' 1513 ' ' ASP . 95.8 mt-30 -45.5 109.34 0.17 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.414 -0.393 . . . . 0.0 111.115 -179.64 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.445 ' HE2' ' HA ' ' A' 1591 ' ' ALA . 19.0 ptp -100.42 -176.8 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -103.78 173.58 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -83.74 42.63 0.86 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 58.54 -90.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.066 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 32.9 mt -105.38 96.66 6.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -142.97 122.26 13.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 179.673 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' 1525 ' ' ILE . 84.9 mt -77.61 -133.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.471 179.839 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 43.5 p 52.25 20.62 1.4 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.739 0.305 . . . . 0.0 111.482 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' 1523 ' ' LEU . 78.6 mt -131.28 107.21 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 179.85 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 79.9 p -73.11 174.44 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -79.33 -5.59 54.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -100.14 -2.42 34.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.1 m -85.9 -31.28 22.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.502 ' O ' ' HE1' ' A' 1602 ' ' MET . 46.1 mtm180 -99.3 -32.17 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1531 ' ' LYS . . . . . . . . . . . . . 60.7 tttm -57.13 -40.37 76.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.16 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' 1536 ' ' LYS . 29.4 mm-40 -58.76 -23.15 59.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.052 0.453 . . . . 0.0 110.055 179.387 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.455 ' CG2' HG13 ' A' 1539 ' ' ILE . 56.4 m -87.62 -22.84 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.455 179.508 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' 1542 ' ' ALA . . . -76.54 0.8 18.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.052 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 10.7 t -150.04 9.52 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.605 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.767 ' HB3' HG12 ' A' 1539 ' ' ILE . 36.9 ttmt -66.66 138.99 95.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.693 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.31 -49.49 14.19 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.627 2.218 . . . . 0.0 112.719 -179.814 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.87 -29.69 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.114 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.907 HD13 ' HA2' ' A' 1603 ' ' GLY . 28.7 mm -82.26 139.03 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 111.081 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.441 ' HB3' ' N ' ' A' 1605 ' ' GLU . . . -107.84 -18.26 13.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.467 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.651 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.7 p90 -158.34 160.06 36.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.478 0.656 . . . . 0.0 112.457 -179.214 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.665 ' N ' ' HB3' ' A' 1568 ' ' LYS . . . -149.27 89.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.557 179.262 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.613 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.2 OUTLIER -131.19 169.57 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.215 0.531 . . . . 0.0 112.378 -178.303 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 86.7 tttt -104.12 109.8 21.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.155 179.512 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.788 HG21 HD13 ' A' 1601 ' ' ILE . 1.9 t -94.08 176.73 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.002 -179.243 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.67 ' H ' HG13 ' A' 1545 ' ' VAL . 88.1 p -155.74 103.98 2.3 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.551 179.572 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.775 HD11 ' HB2' ' A' 1561 ' ' ALA . 50.4 mm -50.48 137.45 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.817 0.341 . . . . 0.0 111.262 -179.719 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1548 ' ' THR . . . . . 0.467 HG21 ' HA ' ' A' 1561 ' ' ALA . 4.5 t -141.61 -14.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.446 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.759 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 36.9 t -147.81 149.35 32.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 0.0 111.276 179.879 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -146.22 141.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.9 m -147.58 98.47 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.447 ' HA ' HG23 ' A' 1557 ' ' VAL . 7.0 p -96.97 140.8 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.3 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -113.15 -169.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -62.78 -23.46 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.807 HG11 ' H ' ' A' 1556 ' ' PHE . 1.3 p -138.64 -79.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.807 ' H ' HG11 ' A' 1555 ' ' VAL . 95.8 m-85 -64.17 142.99 58.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.908 179.742 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.447 HG23 ' HA ' ' A' 1552 ' ' VAL . 10.3 p -126.1 141.98 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.648 ' HG3' HG23 ' A' 1583 ' ' ILE . 11.1 mptt -114.54 150.37 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 -179.724 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.547 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 89.8 m-85 -140.07 101.43 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 179.714 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.759 ' HB2' ' HB3' ' A' 1549 ' ' SER . 95.8 mttt -90.76 139.62 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.507 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.775 ' HB2' HD11 ' A' 1547 ' ' ILE . . . -143.93 175.12 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.035 0.445 . . . . 0.0 111.53 -179.625 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 15.8 m -118.6 134.67 54.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.798 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.676 HD11 HD13 ' A' 1566 ' ' ILE . 44.5 mt -76.0 96.11 3.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' 1546 ' ' SER . 70.6 mt -57.39 -31.27 65.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.894 0.378 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.603 ' O ' ' HB2' ' A' 1543 ' ' TYR . 22.0 t70 -170.33 168.2 8.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.428 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.676 HD13 HD11 ' A' 1563 ' ' LEU . 47.5 mt -139.67 120.22 14.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.63 179.795 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -96.92 -32.58 11.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.167 0.508 . . . . 0.0 109.927 179.057 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.665 ' HB3' ' N ' ' A' 1542 ' ' ALA . 56.8 tptt -124.5 106.99 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.757 179.031 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 57.9 m -47.19 139.56 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.903 -179.079 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.774 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -91.3 127.88 9.08 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.437 179.901 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.62 -25.59 64.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.638 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -91.6 42.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.594 179.439 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 72.3 t 59.3 93.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.4 -179.803 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.774 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -126.46 125.3 41.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.363 179.435 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -131.28 159.46 37.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.321 -179.409 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.29 121.02 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.561 179.772 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.555 ' HA ' ' O ' ' A' 1563 ' ' LEU . 21.1 t70 61.07 67.6 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.542 ' H ' ' HB2' ' A' 1563 ' ' LEU . 67.8 m -114.45 179.47 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.599 179.769 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -107.76 105.07 14.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 179.77 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.686 HD13 ' HB1' ' A' 1561 ' ' ALA . 2.5 pp -109.63 154.91 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.519 -179.815 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 30.5 m -130.67 120.09 23.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.518 ' HA ' ' O ' ' A' 1619 ' ' TYR . 66.0 m-85 -113.8 109.63 18.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.718 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.648 HG23 ' HG3' ' A' 1558 ' ' LYS . 46.7 pt -102.19 164.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 -179.893 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.626 ' HB3' HD13 ' A' 1621 ' ' LEU . 52.6 pttt -166.12 -172.35 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.756 179.791 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 67.0 mttm -106.33 -175.86 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.1 p -91.48 -17.22 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.0 p -69.25 -24.97 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.253 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.568 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.6 m -59.81 105.1 0.34 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 88.8 m -94.03 -30.53 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.323 -179.648 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.45 ' CG ' ' HA ' ' A' 1513 ' ' ASP . 2.8 m-20 -86.36 11.14 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.267 -179.651 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.445 ' HA ' ' HE2' ' A' 1517 ' ' MET . . . -123.99 136.62 54.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 111.251 179.797 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -170.4 114.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.638 HD11 HD13 ' A' 1547 ' ' ILE . 70.9 mt -110.09 158.02 18.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 -179.851 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 11.0 p -144.75 144.73 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 61.5 tttp -74.82 146.85 41.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 91.56 -10.43 74.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.556 179.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -105.7 169.85 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 111.271 -179.857 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -107.89 149.08 28.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.414 ' CD2' HG12 ' A' 1547 ' ' ILE . 72.1 m-85 -143.62 148.7 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.087 0.47 . . . . 0.0 111.81 -179.436 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' 1543 ' ' TYR . 58.2 tp -113.32 118.07 33.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.96 179.063 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.788 HD13 HG21 ' A' 1545 ' ' VAL . 82.4 mt -115.34 126.77 73.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.157 0.503 . . . . 0.0 112.092 -179.051 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.522 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 74.1 mtp -140.86 109.34 5.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.993 179.489 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.907 ' HA2' HD13 ' A' 1539 ' ' ILE . . . -176.65 -168.28 36.46 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 119.946 -1.121 . . . . 0.0 113.742 -179.383 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.403 ' HE3' ' HG2' ' A' 1605 ' ' GLU . 60.2 tptt -55.5 157.09 4.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.868 0.366 . . . . 0.0 111.355 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.452 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 12.6 pt-20 -66.54 -170.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.323 -179.8 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -88.41 175.24 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.271 -179.852 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 9.5 mp -110.29 113.62 26.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.606 179.571 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.542 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 40.4 mt-30 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.005 -179.626 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.542 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 14.1 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.642 0.258 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 48.3 pt -128.91 135.48 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 0.0 110.974 179.556 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' 1582 ' ' PHE . 36.4 m-85 -88.5 131.16 42.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.297 -179.308 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.73 -169.99 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.687 2.258 . . . . 0.0 112.207 179.654 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' 1584 ' ' LYS . 81.6 mt -144.91 100.08 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.739 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.791 ' HB2' HD22 ' A' 1624 ' ' LEU . 10.1 m-20 -122.6 -172.02 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 20.1 m -79.76 -5.35 55.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.649 -179.421 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.791 HD22 ' HB2' ' A' 1622 ' ' ASP . 0.3 OUTLIER -88.55 -32.64 18.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.537 ' N ' ' HG ' ' A' 1624 ' ' LEU . 89.9 m -64.58 108.69 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.174 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.431 ' HB3' ' HB2' ' A' 1602 ' ' MET . 57.1 t-105 -62.56 112.17 2.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -114.26 111.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -128.93 112.86 14.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 78.0 t80 -59.62 133.3 55.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -101.53 108.21 54.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.389 179.772 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.562 ' HB2' HD11 ' A' 1643 ' ' LEU . 78.0 Cg_exo -50.41 120.18 6.0 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.666 2.244 . . . . 0.0 112.557 -179.723 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -78.66 -33.82 46.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -86.81 128.72 35.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.699 HG23 ' HG ' ' A' 1643 ' ' LEU . 82.5 p . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.844 ' HA ' HD22 ' A' 1643 ' ' LEU . 11.3 pt20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.746 0.308 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.76 94.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -80.41 -25.6 38.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.844 HD22 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -77.1 -5.89 50.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.56 -24.73 31.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -89.44 -15.62 32.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.69 -28.47 30.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.13 -36.4 79.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.36 -43.44 94.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.766 179.823 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' 1653 ' ' ILE . 86.7 t80 -68.44 -30.57 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.968 179.89 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.37 51.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.306 -179.853 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -116.55 -4.27 11.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' 1656 ' ' ASN . 18.8 t70 -87.91 -16.18 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.035 -179.848 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.529 HD12 ' HA2' ' A' 1657 ' ' GLY . 8.6 tp -110.05 -29.2 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.777 179.794 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 44.3 t80 -78.05 -47.01 19.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -79.5 -52.75 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.787 -179.424 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.634 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -78.92 -77.78 0.16 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.277 -179.46 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.529 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.3 150.62 2.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.354 -0.832 . . . . 0.0 111.034 -179.916 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.469 ' HB3' ' HB3' ' A' 1516 ' ' GLN . 9.5 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.708 0.29 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 41.5 t 58.45 101.19 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 63.18 43.67 98.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.275 -179.669 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.469 ' HB3' ' HB3' ' A' 1513 ' ' ASP . 16.9 pt20 -54.93 116.26 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.941 0.4 . . . . 0.0 110.974 -179.87 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.441 ' HE3' ' HB2' ' A' 1591 ' ' ALA . 66.1 mtt -93.78 142.21 27.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -87.43 -178.57 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.66 172.44 2.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -93.5 -15.95 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 69.0 mt -148.37 102.06 3.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.557 ' OD1' HG13 ' A' 1525 ' ' ILE . 11.8 t70 -138.79 113.14 8.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.555 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 35.3 mt -103.02 17.46 24.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 76.4 p -97.36 -4.95 37.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.31 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.557 HG13 ' OD1' ' A' 1522 ' ' ASP . 89.8 mt -94.71 137.39 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.0 t -82.96 163.19 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -93.52 -4.24 51.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -106.79 -13.27 15.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 73.2 m -80.78 -50.79 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.721 HH22 HD22 ' A' 1646 ' ' LEU . 34.9 ptt180 -76.02 -22.61 55.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.905 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.494 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 84.5 tttt -60.18 -34.29 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -60.56 -23.97 65.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.272 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.786 ' HA ' ' HG2' ' A' 1536 ' ' LYS . 31.9 m -79.99 -21.03 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.467 ' CA ' ' HE1' ' A' 1602 ' ' MET . . . -80.7 4.32 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.47 -179.801 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.5 t -144.67 18.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.218 -179.639 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.786 ' HG2' ' HA ' ' A' 1533 ' ' THR . 35.0 mmtp -61.78 156.97 52.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.782 179.747 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.08 -10.5 25.84 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.424 2.083 . . . . 0.0 111.951 179.511 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.849 ' HG3' HD12 ' A' 1539 ' ' ILE . 6.6 pt-20 -108.57 -51.8 2.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.101 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.849 HD12 ' HG3' ' A' 1538 ' ' GLU . 1.9 mp -52.02 119.07 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.99 0.424 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.742 ' HB2' ' H ' ' A' 1571 ' ' GLU . . . -90.9 -58.34 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.588 ' HA ' ' O ' ' A' 1568 ' ' LYS . 5.5 p90 -101.09 144.09 30.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.519 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.53 ' HB1' ' HG2' ' A' 1602 ' ' MET . . . -153.51 104.55 2.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.767 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER -179.67 -122.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.411 178.387 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.643 ' HB2' ' HZ1' ' A' 1544 ' ' LYS . 4.4 ttmp? -131.99 140.7 49.04 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.395 0.616 . . . . 0.0 112.046 -177.686 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.815 HG13 ' HA ' ' A' 1563 ' ' LEU . 4.5 m -141.09 140.05 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 179.355 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.653 ' HB2' HD11 ' A' 1564 ' ' LEU . 31.0 t -112.57 143.84 43.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.96 0.409 . . . . 0.0 111.592 -179.014 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.701 HG13 HD13 ' A' 1593 ' ' LEU . 32.3 mm -82.06 120.68 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.549 179.572 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 76.6 p -97.24 -18.57 19.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.708 ' HA ' ' HE3' ' A' 1595 ' ' LYS . 33.4 t -161.89 167.68 24.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.819 -179.575 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.506 HG12 ' HD1' ' A' 1559 ' ' TYR . 85.3 mt -136.08 112.88 13.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.689 179.795 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 62.1 m -112.27 141.43 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.215 -179.706 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.4 p -141.36 137.55 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -106.3 -71.66 0.74 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1554 ' ' ASN . . . . . 0.433 ' OD1' HG21 ' A' 1555 ' ' VAL . 6.2 p30 -157.47 -45.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.433 HG21 ' OD1' ' A' 1554 ' ' ASN . 99.1 t -126.41 -56.42 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.72 108.76 14.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 179.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -82.1 156.0 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.922 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.781 ' HG2' HG23 ' A' 1583 ' ' ILE . 96.1 mttt -144.65 104.88 4.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.582 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 91.2 m-85 -95.67 121.04 36.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.686 ' HB3' ' HB3' ' A' 1549 ' ' SER . 17.3 tppt? -76.56 121.11 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.125 179.412 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.438 ' HB3' HG13 ' A' 1580 ' ' ILE . . . -121.57 -177.3 3.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.03 0.443 . . . . 0.0 111.775 -179.413 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1562 ' ' THR . . . . . 0.567 HG21 ' O ' ' A' 1578 ' ' SER . 21.1 m -150.36 116.51 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.641 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.815 ' HA ' HG13 ' A' 1545 ' ' VAL . 64.3 tp -64.81 92.09 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.754 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.653 HD11 ' HB2' ' A' 1546 ' ' SER . 85.7 mt -56.24 -55.15 36.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.026 0.441 . . . . 0.0 110.854 -179.037 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.767 ' O ' ' HB3' ' A' 1543 ' ' TYR . 9.6 m-20 -144.14 163.51 33.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.708 179.623 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.737 HG22 HD11 ' A' 1563 ' ' LEU . 0.3 OUTLIER -141.79 106.91 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -179.327 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.646 ' H ' ' HB2' ' A' 1543 ' ' TYR . 57.0 m-85 -63.05 -33.44 75.44 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.358 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' A' 1541 ' ' TYR . 62.6 tttp -133.92 112.43 11.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.101 -1.409 . . . . 0.0 108.778 178.588 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1569 ' ' THR . . . . . 0.406 HG21 ' O ' ' A' 1574 ' ' ALA . 91.6 m -51.07 145.34 7.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.117 -178.913 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.448 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -82.28 129.87 9.33 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.047 179.433 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.742 ' H ' ' HB2' ' A' 1540 ' ' ALA . 39.0 mt-10 -67.02 -12.87 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 111.169 -179.711 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.711 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -112.55 71.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 179.678 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 99.3 t 49.78 89.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.544 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.456 ' HB3' HD22 ' A' 1563 ' ' LEU . . . -150.16 127.51 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.916 179.527 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -140.62 164.46 30.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.807 -179.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.733 ' HB2' ' HZ2' ' A' 1576 ' ' LYS . 4.4 ttmp? -60.02 109.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.635 179.943 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1577 ' ' ASP . . . . . . . . . . . . . 19.9 t70 68.15 71.11 0.32 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.663 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.567 ' O ' HG21 ' A' 1562 ' ' THR . 39.2 p -126.83 -167.46 1.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.8 131.02 52.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.69 HD11 ' HE1' ' A' 1582 ' ' PHE . 15.3 pt -143.31 165.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.048 -179.796 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 28.9 m -137.28 129.4 29.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.543 -179.77 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.69 ' HE1' HD11 ' A' 1580 ' ' ILE . 49.5 m-85 -115.42 103.33 10.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.61 179.493 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.781 HG23 ' HG2' ' A' 1558 ' ' LYS . 47.7 pt -88.59 146.43 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.302 -179.718 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.582 ' HE2' ' HE2' ' A' 1559 ' ' TYR . 39.4 ttpt -130.79 149.64 52.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.822 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.46 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 96.0 mttt -87.06 171.02 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.683 179.729 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.7 p -77.4 -25.83 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -179.855 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.7 p -67.48 -33.94 76.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.336 -179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 0.0 OUTLIER -65.99 94.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.879 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 8.1 t -100.65 -12.86 18.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -85.53 -13.79 47.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.441 ' HB2' ' HE3' ' A' 1517 ' ' MET . . . -84.28 108.44 17.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.177 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -134.97 120.57 19.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.805 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.701 HD13 HG13 ' A' 1547 ' ' ILE . 2.1 pt? -135.96 178.77 6.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.973 -179.843 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.577 ' H ' ' HH ' ' A' 1599 ' ' TYR . 46.7 t -129.87 146.43 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.708 ' HE3' ' HA ' ' A' 1549 ' ' SER . 87.2 tttt -74.69 115.4 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 119.05 -33.59 4.67 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.692 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.414 ' HD3' ' HB ' ' A' 1594 ' ' VAL . 10.7 mpt_? -67.4 164.95 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.013 0.435 . . . . 0.0 111.267 -179.871 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.611 HE21 ' HD3' ' A' 1544 ' ' LYS . 28.2 mt-30 -110.55 136.48 49.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.627 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.577 ' HH ' ' H ' ' A' 1594 ' ' VAL . 94.4 m-85 -132.81 136.61 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.354 -179.677 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.457 HD11 ' CE3' ' A' 1630 ' ' TRP . 10.4 tp -75.68 123.05 24.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.88 179.159 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.697 HD11 HG21 ' A' 1545 ' ' VAL . 1.7 mp -118.45 137.47 52.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.156 0.503 . . . . 0.0 111.904 -179.055 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.749 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 67.4 mtp -149.21 100.95 3.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.17 179.626 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.6 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -156.75 174.76 34.43 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.323 -179.448 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.677 ' HD2' HD12 ' A' 1624 ' ' LEU . 0.0 OUTLIER -66.93 174.3 3.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.893 0.378 . . . . 0.0 111.188 -179.892 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.711 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 0.0 OUTLIER -70.2 165.52 21.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.166 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' 1619 ' ' TYR . . . -67.57 -173.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.355 -179.871 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.8 mt -106.95 -174.94 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.213 179.744 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 2.6 m-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.859 0.361 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.735 HD13 HD12 ' A' 1583 ' ' ILE . 20.5 pt -141.47 131.39 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.423 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' 1582 ' ' PHE . 3.1 m-30 -77.54 118.62 73.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.783 -179.5 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.43 -174.55 2.31 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.621 2.214 . . . . 0.0 112.565 -179.804 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' 1584 ' ' LYS . 87.4 mt -142.53 102.52 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.796 179.776 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -127.46 -176.02 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.1 p -71.2 -11.17 60.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.677 HD12 ' HD2' ' A' 1604 ' ' LYS . 0.7 OUTLIER -87.24 -30.67 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.575 179.903 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.485 ' O ' HG13 ' A' 1627 ' ' ILE . 61.8 m -63.99 99.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.081 -179.83 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.749 ' HB3' ' HB2' ' A' 1602 ' ' MET . 59.2 t-105 -60.11 109.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.723 179.773 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' 1625 ' ' THR . 71.8 mt -119.21 133.12 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -144.91 155.88 43.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.514 179.926 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 34.8 t80 -97.72 117.45 32.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.493 ' CE2' HD11 ' A' 1646 ' ' LEU . 7.2 t-105 -91.41 115.11 63.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.339 179.661 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.91 100.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.446 2.097 . . . . 0.0 112.364 -179.866 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -56.64 -27.83 59.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -94.33 133.77 37.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.819 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.472 ' HA ' HD12 ' A' 1643 ' ' LEU . 72.3 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.715 ' HG3' HD11 ' A' 1643 ' ' LEU . 51.7 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.793 0.33 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.35 -33.12 67.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.278 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 61.5 t80 -80.17 -25.19 39.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.834 ' HA ' HD12 ' A' 1646 ' ' LEU . 62.6 mt -62.83 -24.35 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 -179.872 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -57.71 -58.16 9.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.597 -179.629 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 31.4 p30 -64.47 -12.31 42.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.073 -179.814 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' 1643 ' ' LEU . 94.4 mt -83.42 -38.66 21.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.814 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -72.19 -26.96 62.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.736 179.766 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.45 6.18 9.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.674 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.494 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 58.8 t80 -123.26 -26.4 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.64 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1650 ' ' ALA . . . . . 0.407 ' HA ' ' OH ' ' A' 1567 ' ' TYR . . . -67.05 -72.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.382 -179.916 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -69.87 -9.58 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 -179.6 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' 1656 ' ' ASN . 29.8 t70 -69.95 -65.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.821 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' 1649 ' ' PHE . 18.7 tt -70.57 -22.33 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.794 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 55.8 t80 -70.77 -50.98 30.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' 1655 ' ' LEU . 6.2 tt -79.25 -53.65 6.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.73 -179.638 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.62 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -74.3 -71.46 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.064 -179.74 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 106.18 -170.59 16.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.583 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.144 179.96 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.502 0.192 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' 1516 ' ' GLN . 1.3 m 56.01 -156.45 0.27 Allowed 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.122 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.456 ' O ' HD11 ' A' 1627 ' ' ILE . . . -61.12 80.09 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.763 178.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' 1514 ' ' CYS . 0.5 OUTLIER -48.09 127.77 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 110.938 -179.594 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.536 ' HE2' ' H ' ' A' 1592 ' ' GLU . 15.2 ptp -95.78 154.85 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.976 -179.887 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -97.97 177.94 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.13 -176.59 0.3 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.91 -173.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1521 ' ' LEU . . . . . 0.646 HD13 ' HG3' ' A' 1631 ' ' PRO . 2.5 pt? -58.14 132.47 53.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1522 ' ' ASP . . . . . 0.461 ' OD1' HG21 ' A' 1524 ' ' THR . 52.4 t0 -152.7 133.15 13.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.526 HD11 ' N ' ' A' 1523 ' ' LEU . 4.5 mp -82.16 22.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.315 -179.603 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1524 ' ' THR . . . . . 0.461 HG21 ' OD1' ' A' 1522 ' ' ASP . 75.8 p -95.18 -20.6 19.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 111.316 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.7 mt -80.5 136.63 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 37.7 t -87.23 175.09 8.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.13 39.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.231 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.466 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.5 mt-10 -75.67 -18.26 59.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 26.4 m -62.91 -18.17 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.545 ' NH2' ' HG2' ' A' 1628 ' ' GLU . 59.9 mtt180 -122.5 -24.7 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.994 -179.851 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.671 ' HE2' HD11 ' A' 1653 ' ' ILE . 2.5 tppp? -74.47 -36.63 63.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.332 -179.766 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -74.31 7.32 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.723 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 24.0 m -135.84 -21.47 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.034 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -77.51 -12.27 59.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.9 t -100.45 -29.25 12.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.723 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.5 mtmt -63.36 146.57 96.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1537 ' ' PRO . . . . . 0.46 ' O ' ' HE2' ' A' 1604 ' ' LYS . 37.1 Cg_exo -60.24 -11.97 18.13 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.65 2.234 . . . . 0.0 112.353 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.91 -8.17 34.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.013 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.504 ' CG2' ' HB3' ' A' 1602 ' ' MET . 46.0 mm -128.87 118.8 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 111.987 -179.311 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.531 ' HB2' ' N ' ' A' 1605 ' ' GLU . . . -74.65 -73.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.366 178.837 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.663 ' HB2' HD13 ' A' 1566 ' ' ILE . 48.2 p90 -108.09 132.94 53.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.042 179.637 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -139.72 116.41 10.82 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.489 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.697 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER 176.29 -124.41 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.229 178.29 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' 1543 ' ' TYR . 36.9 ttpt -126.77 132.4 51.07 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 111.991 -177.411 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.686 HG13 ' HA ' ' A' 1563 ' ' LEU . 6.1 m -137.08 147.34 27.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.079 179.521 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 18.5 t -117.62 156.58 27.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 111.41 -179.207 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 37.8 mm -96.82 139.3 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.412 179.547 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 2.4 t -138.56 -10.33 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.679 -179.583 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.886 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 63.4 m -157.17 132.25 8.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 111.261 179.911 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.422 ' H ' ' HZ2' ' A' 1595 ' ' LYS . 81.4 mt -131.29 109.96 17.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.621 179.731 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 77.5 m -125.12 143.35 50.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.4 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.549 HG23 HG23 ' A' 1557 ' ' VAL . 7.3 p -133.5 137.63 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.76 179.756 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -95.86 -80.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.01 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 15.0 m120 -131.49 -72.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.981 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 83.9 t -104.93 -45.22 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -83.27 120.85 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.549 HG23 HG23 ' A' 1552 ' ' VAL . 24.1 t -99.7 126.77 53.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.652 ' HG3' HG21 ' A' 1583 ' ' ILE . 0.8 OUTLIER -99.62 153.18 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.164 -179.801 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -139.35 106.69 5.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.886 ' HB2' ' HB2' ' A' 1549 ' ' SER . 3.5 mmmp? -84.12 99.96 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.705 179.767 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -116.35 165.0 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1562 ' ' THR . . . . . 0.461 ' O ' HD22 ' A' 1564 ' ' LEU . 2.4 m -121.38 120.9 36.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.939 179.808 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.792 HD21 ' HB ' ' A' 1566 ' ' ILE . 21.0 tp -69.31 100.55 1.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.207 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' 1562 ' ' THR . 4.3 mm? -59.73 -57.49 12.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.038 0.447 . . . . 0.0 110.803 -179.257 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.697 ' O ' ' HB3' ' A' 1543 ' ' TYR . 8.9 m-20 -136.04 155.95 49.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.12 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.792 ' HB ' HD21 ' A' 1563 ' ' LEU . 9.4 tp -133.5 119.8 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.749 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.63 ' H ' ' HB2' ' A' 1543 ' ' TYR . 22.3 m-85 -81.21 -67.3 0.79 Allowed 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.791 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' 1541 ' ' TYR . 6.9 tmtm? -96.41 106.31 18.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.759 178.238 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1569 ' ' THR . . . . . 0.513 HG22 ' O ' ' A' 1574 ' ' ALA . 36.1 m -48.84 137.2 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.851 -179.025 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.683 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -81.88 120.65 5.2 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.106 179.585 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.17 -22.9 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.4 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -95.01 45.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.406 179.37 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 71.5 t 62.21 94.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.204 -179.599 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.683 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -149.44 122.87 9.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.846 179.75 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.459 ' O ' HD22 ' A' 1563 ' ' LEU . 14.0 mm-40 -147.19 149.27 32.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -42.26 127.27 3.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.996 179.63 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' 1563 ' ' LEU . 16.8 t70 61.09 74.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.59 -179.64 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 28.7 t -137.39 -168.09 2.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.651 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -112.2 128.74 56.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.486 HD12 ' HZ ' ' A' 1582 ' ' PHE . 9.8 pt -141.65 146.45 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.367 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 87.2 m -133.51 140.03 46.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.543 ' HB3' HD21 ' A' 1621 ' ' LEU . 4.4 m-85 -122.93 146.11 47.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.652 HG21 ' HG3' ' A' 1558 ' ' LYS . 46.9 pt -127.82 148.92 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.177 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.754 ' HB3' HD12 ' A' 1621 ' ' LEU . 54.3 pttt -147.42 -167.23 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.6 mptp? -112.63 -176.05 2.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.777 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 26.6 m -90.7 -1.61 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.028 179.762 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.6 p -95.0 -32.48 13.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' 1514 ' ' CYS . 71.2 m -70.25 83.44 0.54 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 77.4 p -92.83 -12.21 31.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' 1517 ' ' MET . 32.8 m-80 -76.19 -24.71 54.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.739 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -105.5 88.79 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1592 ' ' GLU . . . . . 0.536 ' H ' ' HE2' ' A' 1517 ' ' MET . 45.8 mt-10 -127.86 104.48 7.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.756 179.865 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.508 HD11 ' N ' ' A' 1593 ' ' LEU . 4.5 mp -81.47 161.64 23.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.8 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 70.9 t -109.84 142.55 22.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.046 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.422 ' HZ2' ' H ' ' A' 1550 ' ' ILE . 24.8 ttmm -70.99 136.27 48.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.85 65.17 3.18 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.735 179.781 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.586 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 21.8 ttm180 -169.27 139.69 2.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -78.55 138.68 38.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.288 -179.671 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.517 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 63.3 m-85 -144.75 131.51 20.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.412 -179.754 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 0.3 OUTLIER -68.9 123.74 21.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.632 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' 1626 ' ' TRP . 29.3 mt -139.05 141.88 35.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.829 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.504 ' HB3' ' CG2' ' A' 1539 ' ' ILE . 22.3 mtm -130.34 89.95 2.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.089 178.413 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.483 ' HA3' ' CZ ' ' A' 1541 ' ' TYR . . . -92.87 153.87 21.73 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.439 -178.485 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' 1605 ' ' GLU . 29.1 tptp -91.31 162.63 14.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 110.642 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.531 ' N ' ' HB2' ' A' 1540 ' ' ALA . 41.0 tt0 -52.09 132.4 32.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' 1618 ' ' ILE . . . -91.86 -170.24 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.288 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.471 HD21 ' N ' ' A' 1607 ' ' LEU . 3.4 mm? -89.83 -166.36 1.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.198 -179.86 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.436 ' O ' ' HB3' ' A' 1606 ' ' ALA . 46.8 mm 62.97 108.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.332 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -85.9 137.69 35.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.15 -176.15 3.09 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.575 2.183 . . . . 0.0 112.239 179.871 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.754 HD12 ' HB3' ' A' 1584 ' ' LYS . 86.1 mt -143.09 48.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -60.69 177.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1623 ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' 1514 ' ' CYS . 56.6 p -78.32 8.8 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 -179.784 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.5 pp -106.07 5.43 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 179.703 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 91.6 m -86.94 114.34 23.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' 1601 ' ' ILE . 53.5 t-105 -71.75 130.41 41.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.456 HD11 ' O ' ' A' 1515 ' ' GLY . 70.5 mt -136.16 137.22 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 9.0 tp10 -150.6 155.22 38.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.675 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.586 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 18.0 t80 -91.04 120.04 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -101.27 117.35 62.33 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.251 179.496 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.646 ' HG3' HD13 ' A' 1521 ' ' LEU . 72.5 Cg_exo -50.73 102.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.585 2.19 . . . . 0.0 112.434 -179.832 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -60.77 -25.72 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -108.95 144.49 36.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.539 HG23 ' HG ' ' A' 1643 ' ' LEU . 81.3 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.875 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.792 ' HA ' HD23 ' A' 1643 ' ' LEU . 35.8 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.036 0.446 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -135.96 -59.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.815 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.531 ' CB ' ' HB2' ' A' 1521 ' ' LEU . 55.2 t80 -65.36 -21.15 66.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.776 179.721 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.792 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.4 mm? -64.09 -16.63 62.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.03 5.45 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 179.616 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1645 ' ' ASN . . . . . 0.478 HD22 ' HG ' ' A' 1523 ' ' LEU . 40.9 m-80 -105.29 -6.98 19.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.719 179.683 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' 1646 ' ' LEU . 2.9 mm? -101.69 -22.93 14.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.3 -34.52 78.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.792 -179.836 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.6 -31.74 41.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.689 179.863 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.449 ' O ' HG22 ' A' 1653 ' ' ILE . 84.6 t80 -81.79 -7.91 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.684 179.858 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -87.78 -65.6 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.637 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.87 -6.1 11.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.693 -179.063 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.57 -75.01 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.697 0.284 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.671 HD11 ' HE2' ' A' 1531 ' ' LYS . 4.3 tp -53.52 -31.7 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.992 179.851 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 68.3 t80 -70.81 -53.37 15.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.193 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 37.0 tp -87.91 -69.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 -179.422 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.62 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -60.01 -74.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.262 -179.586 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 95.66 160.16 33.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.304 -179.714 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.038 -179.861 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A 1513 ' ' ASP . . . . . 0.404 ' HA ' ' ND2' ' A' 1590 ' ' ASN . 6.7 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.636 0.255 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 40.5 t -49.36 128.72 17.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.575 179.644 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 83.6 -46.38 3.64 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.895 -179.125 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.6 tt0 53.18 95.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 111.372 179.652 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 24.4 ptm -103.46 149.59 24.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.802 179.839 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.28 176.07 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.04 -179.842 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.4 -175.29 0.79 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -97.85 -85.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 73.0 mt -102.36 102.28 12.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.102 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -147.93 113.5 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.772 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 52.5 mt -81.38 8.29 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.005 -179.689 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 68.7 p -74.06 -21.42 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.7 mt -95.63 129.44 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.1 m -92.29 -172.64 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -74.73 -58.39 3.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.253 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.818 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.5 mt-10 -65.64 -15.66 62.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.337 -179.88 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 93.0 m -56.27 -42.18 77.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' 1530 ' ' ARG . 14.6 ptt180 -115.62 0.34 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.818 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 19.8 tptm -77.85 -30.57 51.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 -179.833 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' 1528 ' ' GLU . 9.2 mm100 -63.81 -10.07 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.946 0.403 . . . . 0.0 110.438 179.675 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.738 ' HA ' ' HG3' ' A' 1536 ' ' LYS . 28.0 m -95.59 -18.75 20.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.891 179.772 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.421 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -77.13 3.31 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.655 -179.773 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1535 ' ' CYS . . . . . 0.442 ' HA ' ' HZ1' ' A' 1568 ' ' LYS . 18.1 t -141.38 16.19 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.276 -179.864 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.738 ' HG3' ' HA ' ' A' 1533 ' ' THR . 97.7 mttt -69.45 154.62 94.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.783 179.769 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.31 -20.16 55.51 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.494 2.129 . . . . 0.0 112.291 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.869 ' HG3' HD11 ' A' 1539 ' ' ILE . 5.6 pt-20 -90.67 -44.9 9.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.87 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -62.74 111.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.677 179.615 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.88 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.354 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.491 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.9 p90 -117.39 160.08 21.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.19 0.519 . . . . 0.0 111.813 -179.329 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' A' 1568 ' ' LYS . . . -149.23 100.15 3.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.989 179.477 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.631 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.0 OUTLIER -151.78 178.46 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 0.0 111.724 -179.095 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.515 ' HE2' ' HB2' ' A' 1565 ' ' ASP . 65.1 pttt -115.54 138.88 50.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.568 179.743 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.843 HG12 ' HA ' ' A' 1563 ' ' LEU . 10.1 m -136.45 -178.29 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.399 -179.539 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.428 ' CB ' HD11 ' A' 1564 ' ' LEU . 10.5 t -148.43 130.32 15.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 179.76 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.549 HD12 ' HB3' ' A' 1561 ' ' ALA . 49.0 mm -66.25 139.49 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.834 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 56.1 p -129.95 -26.32 2.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.552 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.76 ' HA ' ' HE2' ' A' 1595 ' ' LYS . 72.4 m -151.72 155.35 38.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.331 -179.568 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.5 mt -132.92 120.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.3 m -109.98 140.64 43.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 -179.891 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.3 p -141.58 140.59 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -118.66 -77.04 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.201 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -120.23 -75.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.031 -179.661 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' 1556 ' ' PHE . 5.7 m -111.35 -49.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.261 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1556 ' ' PHE . . . . . 0.414 ' N ' HG22 ' A' 1555 ' ' VAL . 96.3 m-85 -73.89 128.04 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.758 179.88 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 5.2 p -107.85 117.1 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.281 -179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.829 ' HG3' HG23 ' A' 1583 ' ' ILE . 4.0 mptp? -84.7 152.32 23.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.638 179.823 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' 1581 ' ' THR . 87.0 m-85 -131.81 113.03 13.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.24 -179.889 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -92.83 109.33 20.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.692 179.586 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.549 ' HB3' HD12 ' A' 1547 ' ' ILE . . . -125.52 175.81 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.295 -179.851 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 5.0 m -120.35 134.86 55.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.019 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.843 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.0 tp -77.23 102.34 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.396 179.464 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.5 HD12 ' C ' ' A' 1545 ' ' VAL . 10.2 mp -57.12 -58.12 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.341 -179.022 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' 1543 ' ' TYR . 7.1 m-20 -152.42 158.48 42.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.54 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.744 HG12 HD21 ' A' 1563 ' ' LEU . 54.5 mt -109.14 134.25 51.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.019 0.438 . . . . 0.0 111.799 -179.746 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.584 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 61.0 m-85 -113.37 -14.07 12.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.224 178.521 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.595 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 86.9 tttt -159.76 114.6 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.864 179.161 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 42.9 m -46.29 150.29 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 0.0 111.832 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.681 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -107.94 135.75 13.01 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.351 -179.837 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -63.02 -25.9 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.623 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1572 ' ' ALA . . . . . 0.465 ' HB1' ' H ' ' A' 1606 ' ' ALA . . . -89.7 42.53 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.337 179.436 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 84.5 t 56.56 89.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.322 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.681 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -106.85 131.94 53.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.414 179.359 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.621 ' HB3' ' HB3' ' A' 1578 ' ' SER . 35.4 tt0 -135.82 144.48 45.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.475 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -59.18 123.9 18.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.629 ' HA ' ' O ' ' A' 1563 ' ' LEU . 18.6 t70 64.95 34.17 9.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.093 0.473 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.621 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 66.9 p -84.07 -167.85 1.92 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.667 179.408 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -109.46 144.2 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.682 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.581 HD11 ' HE1' ' A' 1582 ' ' PHE . 31.2 pt -138.32 150.05 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.317 -179.876 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1581 ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' 1559 ' ' TYR . 18.3 m -140.11 97.83 3.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.967 179.763 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.581 ' HE1' HD11 ' A' 1580 ' ' ILE . 60.7 m-85 -92.87 124.91 37.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.886 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.829 HG23 ' HG3' ' A' 1558 ' ' LYS . 42.2 pt -102.01 136.84 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.43 . . . . 0.0 111.062 179.913 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.672 ' HB2' HD22 ' A' 1621 ' ' LEU . 36.7 ttpt -125.54 155.29 40.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.847 -179.718 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.523 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 66.8 mttm -82.48 -178.04 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.613 179.666 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.5 p -95.67 -15.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.2 p -86.71 -23.41 25.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.314 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 30.1 m -59.22 108.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.016 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 63.7 m -99.67 -41.53 7.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1590 ' ' ASN . . . . . 0.404 ' ND2' ' HA ' ' A' 1513 ' ' ASP . 2.7 m-20 -66.18 -18.53 65.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -91.38 106.98 18.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -129.44 124.42 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.4 mt -122.66 151.53 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.486 HG13 ' HB2' ' A' 1597 ' ' ARG . 9.2 p -136.64 143.85 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.76 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.1 ttmt -76.01 126.16 30.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 115.81 -38.54 3.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.716 179.749 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.486 ' HB2' HG13 ' A' 1594 ' ' VAL . 0.0 OUTLIER -79.03 170.41 16.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.937 0.398 . . . . 0.0 111.298 -179.763 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A 1598 ' ' GLN . . . . . 0.661 ' HB2' ' HB3' ' A' 1630 ' ' TRP . 26.3 mt-30 -113.92 149.93 34.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.693 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.421 ' OH ' HG11 ' A' 1594 ' ' VAL . 98.0 m-85 -143.74 135.77 26.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 111.395 -179.892 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.68 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 51.0 tp -84.48 128.71 34.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.275 179.369 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.475 HG23 ' HE1' ' A' 1541 ' ' TYR . 41.6 mm -116.18 124.41 72.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.942 0.401 . . . . 0.0 111.64 -179.382 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1602 ' ' MET . . . . . . . . . . . . . 73.4 mtp -144.68 115.42 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.321 179.758 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.87 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 173.02 -164.65 36.7 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.541 -179.865 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' 1605 ' ' GLU . 3.9 tppp? -54.03 163.78 0.72 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.919 0.39 . . . . 0.0 111.274 -179.549 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' 1604 ' ' LYS . 12.1 pt-20 -71.43 -170.4 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1606 ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -102.96 175.64 5.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.351 -179.872 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' 1607 ' ' LEU . 6.8 mp -93.26 -165.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.639 179.774 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' A' 1617 ' ' TYR . 8.6 tt0 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.262 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.404 ' HA ' ' HA ' ' A' 1608 ' ' GLN . 40.0 m-85 . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.428 ' O ' HG13 ' A' 1618 ' ' ILE . 23.8 pt 36.89 99.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.291 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.501 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 47.7 m-85 -55.16 138.85 65.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.047 -179.81 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1620 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' 1606 ' ' ALA . 62.1 Cg_endo -72.68 -172.64 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.519 2.146 . . . . 0.0 112.019 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' 1584 ' ' LYS . 31.7 tp -166.15 97.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1622 ' ' ASP . . . . . 0.596 ' HB2' HD12 ' A' 1624 ' ' LEU . 9.9 m-20 -135.22 -167.78 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 -179.901 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 75.9 p -67.53 -32.87 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.723 -179.383 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -71.3 -7.5 47.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 111.048 -179.574 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A 1625 ' ' THR . . . . . 0.586 ' N ' HD11 ' A' 1624 ' ' LEU . 62.7 m -87.28 104.2 16.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.991 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -65.4 111.1 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.669 HD11 HD12 ' A' 1621 ' ' LEU . 67.9 mt -114.75 129.1 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.696 179.747 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1628 ' ' GLU . . . . . 0.68 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.3 tt0 -131.52 157.3 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.111 -179.831 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -97.53 128.29 44.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.661 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 3.3 t-105 -105.08 103.74 43.33 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.87 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.527 ' HB2' HD12 ' A' 1643 ' ' LEU . 51.8 Cg_exo -54.51 108.11 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.592 2.195 . . . . 0.0 112.323 -179.84 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -75.42 -25.45 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.765 179.827 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.23 128.75 36.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.774 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.427 HG23 ' HG ' ' A' 1643 ' ' LEU . 77.8 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.437 ' HA ' HD22 ' A' 1643 ' ' LEU . 48.7 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.43 75.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 69.3 t80 -78.26 -42.14 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -65.35 -13.94 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -78.43 -32.06 48.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.855 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -70.35 -28.57 65.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.755 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.42 ' N ' HD13 ' A' 1646 ' ' LEU . 8.9 mp -79.06 -17.93 54.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.77 -46.67 81.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 179.853 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.73 -40.82 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.67 179.768 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.463 ' O ' HG22 ' A' 1653 ' ' ILE . 89.4 t80 -61.03 -24.27 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.062 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -76.16 -55.31 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.567 -179.687 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -75.04 -4.88 41.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.408 -179.15 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.654 ' HA ' HD21 ' A' 1656 ' ' ASN . 14.0 t70 -85.72 -62.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.717 HD12 ' HE3' ' A' 1531 ' ' LYS . 6.8 tp -60.86 -25.44 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.975 0.416 . . . . 0.0 110.909 179.775 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 66.5 t80 -78.14 -49.77 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.218 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.4 tt -90.35 -69.29 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 -179.415 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.654 HD21 ' HA ' ' A' 1652 ' ' ASP . 24.9 m-80 -58.1 -18.58 25.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.555 -179.58 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.498 ' O ' ' HA ' ' A' 1653 ' ' ILE . . . 71.77 -123.22 9.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.31 -179.811 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.935 179.807 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.622 0.249 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 42.2 t 50.57 35.14 10.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.376 0.607 . . . . 0.0 110.706 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.735 ' HA3' ' HB1' ' A' 1591 ' ' ALA . . . 160.52 -48.09 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.103 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1516 ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' 1515 ' ' GLY . 25.9 mt-30 74.32 -48.28 0.65 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.856 0.463 . . . . 0.0 111.863 179.565 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.494 ' HG2' ' HA ' ' A' 1591 ' ' ALA . 24.9 mmt 54.21 -172.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 111.08 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -143.46 148.53 36.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.785 179.851 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.69 170.07 11.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.45 120.99 21.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 70.3 mt 57.12 94.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.069 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -121.2 99.88 6.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.82 89.93 8.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.392 -179.425 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 7.7 t -179.86 -13.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.772 179.64 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1525 ' ' ILE . . . . . 0.493 HG22 HG23 ' A' 1529 ' ' THR . 80.6 mt -95.75 137.7 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 79.6 p -84.84 -177.45 6.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1527 ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' 1531 ' ' LYS . . . -101.06 -13.15 18.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -93.81 -6.15 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1529 ' ' THR . . . . . 0.493 HG23 HG22 ' A' 1525 ' ' ILE . 10.1 t -70.98 -31.36 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.436 ' O ' ' HE2' ' A' 1602 ' ' MET . 15.4 ptt-85 -110.88 -22.21 11.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.135 -179.564 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.597 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 13.1 tmtt? -59.56 -50.53 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' 1536 ' ' LYS . 11.6 pt20 -64.83 -16.28 62.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.189 179.442 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.457 HG22 ' NZ ' ' A' 1536 ' ' LYS . 90.7 m -83.26 -26.92 30.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.71 179.578 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1534 ' ' ALA . . . . . 0.448 ' HB3' ' SD ' ' A' 1602 ' ' MET . . . -67.47 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.042 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1535 ' ' CYS . . . . . 0.633 ' HA ' ' HZ3' ' A' 1568 ' ' LYS . 47.7 t -65.5 -10.1 31.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.783 ' HE3' ' HB3' ' A' 1538 ' ' GLU . 38.6 ttpt -59.66 137.32 89.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.831 179.833 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.41 -14.4 12.5 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.674 2.249 . . . . 0.0 112.798 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.783 ' HB3' ' HE3' ' A' 1536 ' ' LYS . 42.2 tt0 -79.95 -31.01 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.716 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.86 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -104.78 112.14 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.665 179.775 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.599 ' HB2' ' HG3' ' A' 1571 ' ' GLU . . . -67.25 -70.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.551 -179.743 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.483 ' HE1' HG21 ' A' 1601 ' ' ILE . 4.5 p90 -96.21 155.91 16.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.397 0.618 . . . . 0.0 111.898 -179.13 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.05 96.59 2.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.506 179.202 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.648 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.5 OUTLIER -150.91 176.45 11.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.532 . . . . 0.0 112.042 -178.795 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.462 ' HG2' HD11 ' A' 1564 ' ' LEU . 84.0 tttt -111.71 136.61 50.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.322 179.504 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.814 HG11 ' HA ' ' A' 1563 ' ' LEU . 17.7 m -129.65 -175.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.373 . . . . 0.0 111.351 -179.692 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.466 ' HB2' HD12 ' A' 1564 ' ' LEU . 23.1 t -151.0 122.01 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.825 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1547 ' ' ILE . . . . . 0.632 HD13 HD12 ' A' 1593 ' ' LEU . 43.1 mm -58.09 136.72 21.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1548 ' ' THR . . . . . 0.464 ' O ' ' HE2' ' A' 1595 ' ' LYS . 46.3 p -132.21 -18.3 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.345 -179.679 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 65.3 m -153.11 138.18 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.896 0.379 . . . . 0.0 111.37 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.3 mt -131.31 111.41 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 57.2 m -107.36 137.46 45.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 11.8 p -129.07 141.1 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -120.36 -166.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -53.62 -58.43 7.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.495 ' O ' ' HB ' ' A' 1586 ' ' VAL . 32.4 t -118.24 -56.37 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -65.82 163.74 16.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 7.3 p -156.05 140.07 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 179.822 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.682 ' HG2' HG23 ' A' 1583 ' ' ILE . 91.1 mttt -125.18 154.84 40.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.951 0.405 . . . . 0.0 111.402 -179.462 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -133.17 102.62 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.564 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 60.2 mttp -87.87 132.75 34.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.778 -179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1561 ' ' ALA . . . . . 0.509 ' HB2' HD11 ' A' 1547 ' ' ILE . . . -141.43 167.0 23.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.31 -179.718 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.5 m -108.24 125.52 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.016 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.814 ' HA ' HG11 ' A' 1545 ' ' VAL . 14.0 tp -65.64 112.11 3.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.225 179.314 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.56 ' H ' ' HA ' ' A' 1545 ' ' VAL . 81.9 mt -65.73 -59.48 3.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.204 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' 1543 ' ' TYR . 8.6 m-20 -152.86 154.43 35.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.673 HG12 HD22 ' A' 1563 ' ' LEU . 54.9 mt -102.05 130.52 51.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.906 0.384 . . . . 0.0 111.88 -179.65 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.601 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 52.9 m-85 -106.31 -15.99 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.103 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.633 ' HZ3' ' HA ' ' A' 1535 ' ' CYS . 82.9 tttt -159.93 107.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.412 178.875 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 34.5 m -43.21 137.06 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.361 0.601 . . . . 0.0 112.274 -178.985 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.603 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -84.09 139.39 18.34 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.597 179.113 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1571 ' ' GLU . . . . . 0.631 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 28.4 mt-10 -53.2 -20.86 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.182 0.515 . . . . 0.0 110.087 179.761 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -90.33 -157.02 0.45 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.735 178.449 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1573 ' ' VAL . . . . . 0.463 ' O ' HG21 ' A' 1573 ' ' VAL . 11.7 p -82.9 42.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.232 0.539 . . . . 0.0 110.978 179.631 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.603 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -67.52 114.68 6.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.774 179.662 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.574 ' HB2' ' HG ' ' A' 1578 ' ' SER . 23.1 mm-40 -134.02 144.71 48.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.693 ' HZ2' ' HB3' ' A' 1576 ' ' LYS . 6.0 ttpm? -52.07 121.66 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.68 -179.951 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.617 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 65.7 60.14 0.72 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.732 -179.855 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.574 ' HG ' ' HB2' ' A' 1575 ' ' GLU . 52.2 m -115.48 -175.86 2.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.718 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -105.48 133.74 49.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.716 179.772 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.591 HD11 ' HE2' ' A' 1582 ' ' PHE . 8.5 pt -139.38 140.36 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 -179.639 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 18.9 m -122.34 112.96 18.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.591 ' HE2' HD11 ' A' 1580 ' ' ILE . 89.7 m-85 -98.43 101.33 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.772 179.729 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.682 HG23 ' HG2' ' A' 1558 ' ' LYS . 36.1 pt -85.65 158.82 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.213 -179.801 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.648 ' HZ1' ' HB2' ' A' 1588 ' ' CYS . 6.0 tmmm? -164.03 143.33 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.445 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' 1584 ' ' LYS . 46.0 mmtm -57.6 -89.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.061 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1586 ' ' VAL . . . . . 0.495 ' HB ' ' O ' ' A' 1555 ' ' VAL . 14.6 p 177.25 -15.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.6 p -68.12 -36.52 79.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.061 -179.727 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.648 ' HB2' ' HZ1' ' A' 1584 ' ' LYS . 3.3 m -60.64 95.19 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 61.0 m -92.01 -36.58 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.354 -179.749 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.43 -26.52 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.735 ' HB1' ' HA3' ' A' 1515 ' ' GLY . . . -95.97 119.27 34.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -150.14 148.57 29.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.783 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1593 ' ' LEU . . . . . 0.632 HD12 HD13 ' A' 1547 ' ' ILE . 92.1 mt -128.38 145.3 51.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.639 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 57.6 t -105.2 141.54 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1595 ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.1 tttm -77.67 133.06 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 94.75 -15.04 64.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.733 179.653 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.639 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 93.6 mtt180 -92.11 173.94 7.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.047 0.451 . . . . 0.0 111.481 -179.812 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -113.61 138.53 50.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -142.98 135.52 27.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.964 0.412 . . . . 0.0 111.43 -179.804 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.585 ' O ' ' HA ' ' A' 1627 ' ' ILE . 46.9 tp -83.53 134.26 34.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.881 179.06 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.483 HG21 ' HE1' ' A' 1541 ' ' TYR . 83.4 mt -131.17 131.9 63.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.091 0.472 . . . . 0.0 112.173 -179.072 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.498 ' HB3' HG22 ' A' 1539 ' ' ILE . 28.0 mtm -144.92 123.19 12.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.93 179.018 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.86 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.95 -170.91 41.56 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.049 -1.072 . . . . 0.0 113.336 -179.587 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.473 ' HZ1' ' HA ' ' A' 1538 ' ' GLU . 37.6 mmtm -51.27 165.37 0.14 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.881 0.372 . . . . 0.0 111.387 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.631 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.5 pt-20 -71.02 -170.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.055 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -95.09 -178.65 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.25 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.569 ' O ' ' HA ' ' A' 1617 ' ' TYR . 94.8 mt -103.21 -164.05 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.339 179.994 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.569 ' HA ' ' O ' ' A' 1607 ' ' LEU . 21.4 m-85 . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.887 0.375 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.471 HD12 HD13 ' A' 1583 ' ' ILE . 40.9 pt -123.0 163.94 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.602 179.16 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1619 ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' A' 1582 ' ' PHE . 6.3 m-85 -116.54 129.44 25.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.129 -179.133 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.07 -177.69 3.66 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.645 2.23 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1621 ' ' LEU . . . . . . . . . . . . . 58.6 tp -153.65 111.45 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -161.75 -164.51 1.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.3 p -60.12 -39.52 86.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.219 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.521 HD12 ' HG2' ' A' 1538 ' ' GLU . 66.1 tp -59.71 -25.9 65.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.856 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 46.2 m -80.2 100.02 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.057 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1626 ' ' TRP . . . . . 0.425 ' O ' ' HA ' ' A' 1601 ' ' ILE . 69.4 t-105 -70.68 110.87 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' 1600 ' ' LEU . 67.5 mt -124.48 132.22 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.97 179.922 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -134.5 137.93 44.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.408 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 50.0 t80 -72.51 110.31 6.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.774 179.663 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -84.45 111.9 37.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.239 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.471 ' HB2' HD13 ' A' 1643 ' ' LEU . 83.1 Cg_exo -47.21 106.57 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.584 2.189 . . . . 0.0 112.454 -179.586 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -54.24 -33.15 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.022 179.847 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -106.41 157.38 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.864 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.4 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.277 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.957 0.408 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -90.3 -65.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 58.7 t80 -102.2 -13.64 17.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.727 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.864 ' HG ' HG22 ' A' 1634 ' ' THR . 2.5 mm? -67.63 -19.23 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.962 -179.798 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.95 99.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -76.1 -24.3 54.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.893 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.51 HD11 HD11 ' A' 1643 ' ' LEU . 97.2 mt -77.59 -27.63 51.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -67.77 -29.39 68.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.751 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.31 7.45 22.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.87 179.827 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.597 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 80.5 t80 -117.62 -40.63 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -69.37 -48.64 60.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -79.27 -4.86 52.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.222 -179.55 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.4 t70 -95.77 -25.1 16.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A 1653 ' ' ILE . . . . . . . . . . . . . 9.0 tp -96.68 -22.13 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 179.736 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 45.2 t80 -89.15 -46.95 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.39 -63.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.009 -179.343 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.635 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -70.12 -43.22 71.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.167 -179.594 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 62.55 -168.46 17.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 -179.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.7 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.907 179.926 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.663 0.268 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A 1514 ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' 1588 ' ' CYS . 7.4 t -48.78 103.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.267 179.67 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1515 ' ' GLY . . . . . 0.783 ' HA3' ' HB3' ' A' 1591 ' ' ALA . . . 80.27 45.54 8.06 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.609 -178.911 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -45.23 123.78 4.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.532 -179.495 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1517 ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' 1515 ' ' GLY . 63.3 mtt -121.66 -169.56 1.89 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.803 179.578 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -123.98 158.26 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -71.61 177.66 3.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.081 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.59 -80.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 82.7 mt -101.71 108.48 20.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -128.02 97.61 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.41 91.67 8.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.227 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.4 t -177.48 -16.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.849 179.694 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 76.6 mt -94.81 127.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1526 ' ' SER . . . . . 0.488 ' HB2' ' OG1' ' A' 1529 ' ' THR . 36.7 m -87.41 163.46 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -62.53 -57.94 9.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1528 ' ' GLU . . . . . 0.537 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 6.1 pt-20 -58.62 -26.01 63.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.543 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1529 ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' A' 1526 ' ' SER . 85.1 m -58.15 -44.23 87.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.315 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1530 ' ' ARG . . . . . 0.431 ' NH2' HD21 ' A' 1646 ' ' LEU . 49.7 ptt85 -100.36 -14.15 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 -179.812 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1531 ' ' LYS . . . . . 0.537 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 1.2 tmtp? -68.25 -38.07 81.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.915 -179.798 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1532 ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.0 mt-30 -58.89 -18.79 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.951 0.405 . . . . 0.0 110.268 179.492 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.818 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 45.7 m -83.48 -28.86 28.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.578 179.619 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.98 73.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.014 179.737 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.8 t -87.85 2.02 52.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.584 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1536 ' ' LYS . . . . . 0.818 ' HE2' ' HA ' ' A' 1533 ' ' THR . 23.5 ttmm -57.81 138.82 82.66 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 179.91 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.38 -20.05 61.36 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.451 2.101 . . . . 0.0 112.143 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1538 ' ' GLU . . . . . 0.573 ' H ' ' HG2' ' A' 1536 ' ' LYS . 41.4 tt0 -85.53 -16.92 37.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.771 179.853 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1539 ' ' ILE . . . . . 0.744 HD13 ' HA2' ' A' 1603 ' ' GLY . 48.8 mm -112.19 118.44 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.891 179.874 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1540 ' ' ALA . . . . . 0.459 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -77.92 -69.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.599 -179.774 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1541 ' ' TYR . . . . . 0.482 ' HB2' ' CE2' ' A' 1543 ' ' TYR . 7.2 p90 -96.48 151.64 19.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.372 0.606 . . . . 0.0 112.089 -178.842 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1542 ' ' ALA . . . . . 0.482 ' HB3' ' SD ' ' A' 1602 ' ' MET . . . -146.12 97.84 3.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.699 179.305 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1543 ' ' TYR . . . . . 0.788 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.2 p90 -154.03 174.29 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.135 0.493 . . . . 0.0 112.107 -178.735 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1544 ' ' LYS . . . . . 0.505 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 62.4 pttt -111.02 147.78 34.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.596 178.819 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1545 ' ' VAL . . . . . 0.801 HG13 ' HA ' ' A' 1563 ' ' LEU . 13.4 m -137.64 -176.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.94 0.4 . . . . 0.0 111.662 -178.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1546 ' ' SER . . . . . 0.747 ' HB2' HD12 ' A' 1564 ' ' LEU . 23.0 t -145.04 124.9 13.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.932 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 42.6 mm -69.48 138.5 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.79 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 66.3 p -128.81 -29.59 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.618 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.573 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 72.9 m -151.27 152.98 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 111.424 -179.521 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1550 ' ' ILE . . . . . 0.47 HG12 ' HD2' ' A' 1559 ' ' TYR . 76.5 mt -133.98 134.92 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 83.0 m -136.35 129.02 30.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.227 -179.866 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1552 ' ' VAL . . . . . 0.662 HG12 HG23 ' A' 1557 ' ' VAL . 93.7 t -101.58 124.22 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -116.67 95.73 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 13.7 m120 56.69 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.353 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1555 ' ' VAL . . . . . 0.448 HG12 HG13 ' A' 1586 ' ' VAL . 88.7 t -107.11 -58.37 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.042 -179.851 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -69.09 119.24 13.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1557 ' ' VAL . . . . . 0.662 HG23 HG12 ' A' 1552 ' ' VAL . 59.8 t -95.28 114.97 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1558 ' ' LYS . . . . . 0.513 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.9 OUTLIER -86.64 160.31 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.918 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A 1559 ' ' TYR . . . . . 0.509 ' HH ' ' HE2' ' A' 1584 ' ' LYS . 97.2 m-85 -139.5 112.32 7.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1560 ' ' LYS . . . . . 0.573 ' HB2' ' HB2' ' A' 1549 ' ' SER . 75.7 mmtt -85.4 102.66 13.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.578 179.744 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -122.97 -177.35 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.187 -179.723 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.6 m -136.45 124.98 23.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1563 ' ' LEU . . . . . 0.801 ' HA ' HG13 ' A' 1545 ' ' VAL . 3.7 tt -59.94 136.26 57.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.561 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1564 ' ' LEU . . . . . 0.747 HD12 ' HB2' ' A' 1546 ' ' SER . 91.7 mt -96.16 -49.03 5.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.526 -179.091 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1565 ' ' ASP . . . . . 0.486 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 9.7 t70 -156.74 127.31 6.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1566 ' ' ILE . . . . . 0.788 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 2.7 pt -87.53 110.42 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.937 -179.686 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1567 ' ' TYR . . . . . 0.654 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 79.8 m-85 -85.2 -16.19 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.6 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1568 ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.9 tmtt? -157.94 87.61 0.94 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.823 178.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1569 ' ' THR . . . . . 0.4 ' HG1' HD11 ' A' 1566 ' ' ILE . 97.8 m -36.34 136.11 0.34 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.418 -178.705 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1570 ' ' GLY . . . . . 0.451 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -71.34 -153.74 1.45 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.156 179.493 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -129.59 -19.45 3.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.87 0.367 . . . . 0.0 110.553 179.71 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -110.84 73.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.385 179.33 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 90.8 t 53.74 91.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.173 -179.506 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1574 ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' 1575 ' ' GLU . . . -129.41 146.58 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1575 ' ' GLU . . . . . 0.861 ' HB2' ' HB3' ' A' 1578 ' ' SER . 13.8 mm-40 -156.04 159.57 39.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.802 -179.722 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.689 ' HB3' HG12 ' A' 1566 ' ' ILE . 0.0 OUTLIER -78.23 39.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.26 -179.737 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A 1577 ' ' ASP . . . . . 0.703 ' HA ' ' O ' ' A' 1563 ' ' LEU . 18.7 t70 165.41 16.7 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.567 -179.49 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1578 ' ' SER . . . . . 0.861 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 31.7 p -76.13 -170.45 1.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.044 0.45 . . . . 0.0 111.31 -179.754 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -97.85 147.99 23.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.572 179.885 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1580 ' ' ILE . . . . . 0.647 HD12 ' HE2' ' A' 1582 ' ' PHE . 20.5 pt -146.08 147.18 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.46 -179.616 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 15.4 m -136.41 100.4 4.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1582 ' ' PHE . . . . . 0.647 ' HE2' HD12 ' A' 1580 ' ' ILE . 90.6 m-85 -84.74 152.68 23.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.06 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1583 ' ' ILE . . . . . 0.804 HD12 HD13 ' A' 1618 ' ' ILE . 36.9 pt -135.32 136.79 50.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 179.563 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1584 ' ' LYS . . . . . 0.509 ' HE2' ' HH ' ' A' 1559 ' ' TYR . 37.3 ttpt -132.53 145.86 51.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.701 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1585 ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.7 mptp? -82.4 129.17 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 179.625 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1586 ' ' VAL . . . . . 0.448 HG13 HG12 ' A' 1555 ' ' VAL . 12.2 p -65.7 -8.43 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.7 p -86.74 -6.74 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.57 -179.767 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1588 ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' 1514 ' ' CYS . 34.0 m -72.77 -178.06 2.56 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.905 0.383 . . . . 0.0 111.051 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 48.9 m -154.62 -23.54 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 -179.841 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.18 9.03 38.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.07 -179.677 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1591 ' ' ALA . . . . . 0.783 ' HB3' ' HA3' ' A' 1515 ' ' GLY . . . -122.69 114.56 20.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 111.191 179.851 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -139.78 140.47 36.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.728 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 88.6 mt -125.65 169.8 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1594 ' ' VAL . . . . . 0.768 HG12 ' HD2' ' A' 1597 ' ' ARG . 11.9 p -145.98 147.23 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -90.79 127.44 36.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.025 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 115.65 -24.23 10.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.771 179.796 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.768 ' HD2' HG12 ' A' 1594 ' ' VAL . 91.6 mtt180 -96.96 176.12 6.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 111.485 -179.857 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -116.83 150.08 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1599 ' ' TYR . . . . . 0.62 ' HH ' HG11 ' A' 1594 ' ' VAL . 82.7 m-85 -142.94 144.91 32.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.495 -179.742 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1600 ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' 1627 ' ' ILE . 50.1 tp -93.65 120.98 34.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.208 179.3 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1601 ' ' ILE . . . . . 0.496 HD13 HG22 ' A' 1545 ' ' VAL . 3.1 mp -117.21 129.47 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 112.053 -179.164 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1602 ' ' MET . . . . . 0.482 ' SD ' ' HB3' ' A' 1542 ' ' ALA . 31.6 mtm -141.62 111.1 6.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.481 178.841 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1603 ' ' GLY . . . . . 0.744 ' HA2' HD13 ' A' 1539 ' ' ILE . . . -159.71 -177.32 32.7 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 119.995 -1.098 . . . . 0.0 113.651 -178.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1604 ' ' LYS . . . . . 0.535 ' HG3' ' N ' ' A' 1605 ' ' GLU . 16.7 tppt? -62.07 163.52 7.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.688 0.28 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1605 ' ' GLU . . . . . 0.535 ' N ' ' HG3' ' A' 1604 ' ' LYS . 32.9 tt0 -48.02 150.77 1.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.248 179.9 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -68.27 177.33 2.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1607 ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' 1607 ' ' LEU . 7.1 mp -78.97 176.61 9.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.733 179.873 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1608 ' ' GLN . . . . . 0.662 ' HG2' ' HE1' ' A' 1617 ' ' TYR . 46.6 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.317 -179.721 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1617 ' ' TYR . . . . . 0.662 ' HE1' ' HG2' ' A' 1608 ' ' GLN . 29.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.852 0.358 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1618 ' ' ILE . . . . . 0.804 HD13 HD12 ' A' 1583 ' ' ILE . 25.0 pt -139.26 156.01 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.701 179.516 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -112.82 132.67 22.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.289 -179.297 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.86 176.95 8.75 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.63 2.22 . . . . 0.0 112.254 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1621 ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' 1582 ' ' PHE . 98.3 mt -145.2 23.31 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.35 -167.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.272 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.8 p -61.84 -44.33 97.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.247 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1624 ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' 1624 ' ' LEU . 3.0 tm? -56.53 -31.19 63.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 37.9 m -62.16 116.52 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.283 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -85.98 112.92 21.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1627 ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.3 mt -126.63 130.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -138.53 114.59 10.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1629 ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 66.2 t80 -53.14 132.2 37.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.195 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1630 ' ' TRP . . . . . 0.414 ' CE2' HD13 ' A' 1646 ' ' LEU . 4.5 t-105 -99.39 105.62 34.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.229 179.488 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1631 ' ' PRO . . . . . 0.775 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 72.0 Cg_exo -48.41 105.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.56 2.174 . . . . 0.0 112.546 -179.75 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -68.79 -36.07 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -75.54 140.11 42.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1634 ' ' THR . . . . . 0.692 HG23 ' HG ' ' A' 1643 ' ' LEU . 65.6 p . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1640 ' ' GLN . . . . . 0.811 ' HB3' HD21 ' A' 1643 ' ' LEU . 7.8 tt0 . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 120.629 0.252 . . . . 0.0 111.388 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -98.43 -86.98 0.35 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.808 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1642 ' ' PHE . . . . . 0.775 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 32.0 t80 -65.18 -16.48 63.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.394 0.616 . . . . 0.0 109.488 179.117 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1643 ' ' LEU . . . . . 0.811 HD21 ' HB3' ' A' 1640 ' ' GLN . 2.8 mm? -62.63 -28.75 70.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -66.47 -25.25 66.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.635 179.516 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 6.7 m120 -87.49 -30.19 20.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.436 179.705 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1646 ' ' LEU . . . . . 0.55 HD11 HD12 ' A' 1643 ' ' LEU . 76.3 mt -75.47 -26.69 58.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.64 -29.49 67.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -82.96 2.16 36.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.796 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1649 ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' 1653 ' ' ILE . 89.3 t80 -112.14 -43.75 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.852 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -61.17 -16.33 43.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -179.769 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -114.1 -3.16 13.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.137 -179.534 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1652 ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' 1656 ' ' ASN . 19.0 t70 -102.24 -20.91 14.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.251 -179.891 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1653 ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' 1649 ' ' PHE . 9.7 tp -107.09 -25.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 47.4 t80 -85.27 -48.88 8.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1655 ' ' LEU . . . . . 0.455 ' O ' HD22 ' A' 1655 ' ' LEU . 5.4 tt -72.44 -45.07 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.637 -179.378 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A 1656 ' ' ASN . . . . . 0.656 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -80.27 -75.62 0.26 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.193 -179.538 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 130.33 -56.46 0.74 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.902 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 79.0 p -95.05 113.94 25.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.2 m80 -117.44 144.44 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.0 tpt -130.76 133.83 46.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.752 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -154.29 139.7 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.497 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 9.5 m-20 -68.93 -18.26 64.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.347 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' 1516 ' ' GLN . 12.4 p 39.88 -145.33 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' 1591 ' ' ALA . . . -63.86 77.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.447 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' 1514 ' ' CYS . 20.6 pt20 -42.48 137.14 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.283 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.563 ' HE2' ' HB3' ' A' 1591 ' ' ALA . 25.7 mmt -113.46 172.01 7.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.014 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -117.55 173.53 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.825 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.49 154.37 36.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.99 -41.85 25.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.85 111.03 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 10.7 t70 -154.86 121.78 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.755 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.454 HD23 ' HB3' ' A' 1641 ' ' ALA . 93.4 mt -77.02 99.69 5.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1524 ' ' THR . . . . . 0.447 HG22 HG13 ' A' 1525 ' ' ILE . 8.9 t -175.39 -28.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.517 ' HB ' ' HE1' ' A' 1642 ' ' PHE . 60.4 mt -89.83 108.41 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.1 m -85.62 178.05 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.03 68.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.55 -23.34 56.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 49.6 m -66.87 -28.36 68.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.98 0.419 . . . . 0.0 110.759 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.547 HH21 ' HG ' ' A' 1600 ' ' LEU . 46.0 mtp180 -95.7 12.47 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.693 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.769 ' HE2' HD13 ' A' 1653 ' ' ILE . 3.6 tppp? -119.72 -52.44 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.311 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -54.96 -20.75 9.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.459 . . . . 0.0 110.204 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.597 ' O ' HG13 ' A' 1539 ' ' ILE . 35.3 m -104.72 -19.96 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.517 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' 1530 ' ' ARG . . . -70.19 -54.61 12.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1535 ' ' CYS . . . . . 0.421 ' HA ' ' HE2' ' A' 1568 ' ' LYS . 4.5 t -71.7 -2.17 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.713 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 39.6 ttpt -58.64 138.77 86.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.84 -40.09 81.74 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.73 2.287 . . . . 0.0 112.813 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.713 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 0.4 OUTLIER -59.36 -19.55 47.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 110.607 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' 1533 ' ' THR . 17.9 mm -102.18 120.55 52.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.206 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -93.29 -30.37 15.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.742 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.566 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.6 p90 -139.43 158.62 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.144 0.497 . . . . 0.0 111.864 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.487 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -149.53 89.33 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.253 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.685 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 16.5 p90 -138.81 164.16 30.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.625 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.57 ' HZ1' ' HB3' ' A' 1544 ' ' LYS . 0.0 OUTLIER -111.31 130.73 55.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.149 179.546 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.818 HG11 ' HA ' ' A' 1563 ' ' LEU . 13.2 m -125.67 -178.92 2.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.661 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 16.4 t -142.07 140.73 32.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.73 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.482 HD13 ' HB2' ' A' 1561 ' ' ALA . 45.2 mm -78.33 137.38 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1548 ' ' THR . . . . . 0.429 ' O ' ' HE3' ' A' 1595 ' ' LYS . 5.2 t -134.51 -17.0 2.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.277 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.722 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 57.8 m -156.71 146.14 20.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 60.8 mt -135.81 138.01 48.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1551 ' ' THR . . . . . 0.538 ' O ' ' HB ' ' A' 1557 ' ' VAL . 64.0 m -115.69 136.67 52.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.894 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 41.0 t -134.2 125.2 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1553 ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' 1556 ' ' PHE . 43.9 mt-10 -116.24 -161.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1554 ' ' ASN . . . . . 0.578 ' N ' HD21 ' A' 1554 ' ' ASN . 0.8 OUTLIER -53.98 -53.1 57.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.195 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.454 HG22 ' N ' ' A' 1556 ' ' PHE . 6.9 m -132.67 -51.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.42 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' 1553 ' ' GLU . 52.0 m-85 -82.21 131.46 35.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.538 ' HB ' ' O ' ' A' 1551 ' ' THR . 8.0 m -125.98 160.78 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.667 ' HG2' HG23 ' A' 1583 ' ' ILE . 86.9 mttt -126.76 170.99 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.794 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.456 ' O ' ' HA ' ' A' 1581 ' ' THR . 96.6 m-85 -140.7 112.92 7.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.722 ' HB2' ' HB2' ' A' 1549 ' ' SER . 75.8 mmtt -92.08 107.92 19.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.45 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.482 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.32 152.48 50.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.404 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -102.6 141.06 36.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.091 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.818 ' HA ' HG11 ' A' 1545 ' ' VAL . 7.3 tt -77.38 135.4 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' 1545 ' ' VAL . 10.4 mp -92.92 -48.36 6.57 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.008 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.451 ' N ' HD21 ' A' 1563 ' ' LEU . 16.8 t70 -160.37 145.12 14.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.916 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.685 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 59.8 mt -108.7 126.05 65.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.942 0.401 . . . . 0.0 111.887 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' 1542 ' ' ALA . 77.9 m-85 -99.32 -25.0 14.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.421 ' HE2' ' HA ' ' A' 1535 ' ' CYS . 28.9 mtpp -140.33 113.36 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.649 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 45.6 m -46.56 141.08 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.607 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.692 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.58 131.36 10.56 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.646 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.677 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 41.8 mt-10 -60.68 -26.73 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.416 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.543 ' HB3' ' H ' ' A' 1606 ' ' ALA . . . -90.54 67.23 6.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.511 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' 1573 ' ' VAL . 7.2 p 38.19 80.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.058 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.692 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.46 128.73 56.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.496 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.4 160.14 41.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.972 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 24.1 tptm -53.66 110.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.68 ' HA ' ' O ' ' A' 1563 ' ' LEU . 14.5 t70 61.08 80.98 0.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.113 0.482 . . . . 0.0 110.789 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.552 ' H ' ' HB3' ' A' 1563 ' ' LEU . 49.8 p -114.84 -166.68 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.11 102.2 8.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.494 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.705 HD11 ' HE1' ' A' 1582 ' ' PHE . 24.2 pt -108.84 148.4 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.362 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1581 ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' 1559 ' ' TYR . 59.9 m -136.39 118.37 15.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.705 ' HE1' HD11 ' A' 1580 ' ' ILE . 59.8 m-85 -99.69 128.35 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.667 HG23 ' HG2' ' A' 1558 ' ' LYS . 16.1 pt -121.52 149.8 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.534 ' HB3' HD23 ' A' 1621 ' ' LEU . 0.0 OUTLIER -170.08 177.61 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 179.268 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 95.1 mttt -89.17 158.14 18.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.008 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.5 p -75.17 -3.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.002 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.5 p -73.64 0.62 12.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.323 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.584 ' SG ' ' HB1' ' A' 1591 ' ' ALA . 42.7 t -76.34 112.07 12.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 5.0 m -115.24 34.04 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.497 ' OD1' ' HA ' ' A' 1513 ' ' ASP . 15.2 m120 -145.11 -11.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.473 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.584 ' HB1' ' SG ' ' A' 1588 ' ' CYS . . . -127.61 130.22 48.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.347 . . . . 0.0 111.496 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -147.73 103.91 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.67 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.7 mt -82.43 151.44 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 46.3 t -116.13 141.16 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' A' 1548 ' ' THR . 87.3 tttt -79.48 106.35 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 124.75 -17.07 7.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.724 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -92.31 175.03 7.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.028 0.442 . . . . 0.0 111.308 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -116.27 148.64 40.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.628 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -142.36 140.59 32.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 111.378 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.612 HD13 ' HG3' ' A' 1602 ' ' MET . 3.2 tm? -91.72 142.18 27.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.878 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.565 ' H ' HD21 ' A' 1600 ' ' LEU . 87.1 mt -138.6 130.11 36.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.612 ' HG3' HD13 ' A' 1600 ' ' LEU . 17.5 mtm -144.06 104.58 4.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.7 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.565 ' N ' HG21 ' A' 1539 ' ' ILE . . . -167.62 179.59 40.95 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.335 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' 1605 ' ' GLU . 4.6 tppp? -59.41 162.8 4.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.677 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 13.0 pt-20 -62.28 179.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.543 ' H ' ' HB3' ' A' 1572 ' ' ALA . . . -106.7 158.83 16.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.203 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' 1607 ' ' LEU . 3.8 pp -65.03 147.71 52.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.425 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.509 HE21 ' HE2' ' A' 1617 ' ' TYR . 94.9 mt-30 -117.6 134.8 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.175 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.738 HG12 ' HB3' ' A' 1615 ' ' PHE . 0.2 OUTLIER -141.88 -14.11 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.959 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.821 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 62.6 tttm -38.67 124.67 1.36 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.358 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1611 ' ' TYR . . . . . 0.514 ' HD2' HD21 ' A' 1612 ' ' ASN . 66.9 t80 -133.6 -34.76 1.02 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1612 ' ' ASN . . . . . 0.514 HD21 ' HD2' ' A' 1611 ' ' TYR . 7.4 p30 -151.81 -53.01 0.12 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -170.52 -37.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.17 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 50.1 m -67.73 -9.11 41.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.073 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.738 ' HB3' HG12 ' A' 1609 ' ' ILE . 89.8 m-85 -126.98 173.26 9.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.631 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.821 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 69.0 ttt180 -175.65 -108.18 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.725 0.298 . . . . 0.0 111.217 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.691 ' HD1' ' HG2' ' A' 1616 ' ' ARG . 76.1 m-85 -134.71 -52.22 0.8 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.676 HD11 HD11 ' A' 1609 ' ' ILE . 0.1 OUTLIER 32.74 94.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.188 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.47 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 59.6 m-85 -49.33 139.63 13.87 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.48 -19.18 17.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.452 2.101 . . . . 0.0 112.38 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' 1584 ' ' LYS . 51.5 tp 54.96 92.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.979 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -121.94 -174.86 2.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 56.9 p -73.78 -28.2 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.468 ' C ' HD13 ' A' 1624 ' ' LEU . 3.8 pp -62.16 -33.09 73.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.36 . . . . 0.0 110.645 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.493 ' O ' HG13 ' A' 1627 ' ' ILE . 47.4 m -59.35 93.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.192 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.427 ' O ' ' HA ' ' A' 1601 ' ' ILE . 63.7 t-105 -59.18 103.85 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.759 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' A' 1600 ' ' LEU . 72.9 mt -119.17 132.52 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.21 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -139.38 117.43 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 20.5 t80 -56.44 121.89 10.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.435 ' CH2' ' HB3' ' A' 1646 ' ' LEU . 2.1 t-105 -99.6 107.43 45.63 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.239 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.446 ' HB2' HD13 ' A' 1643 ' ' LEU . 89.2 Cg_exo -46.8 104.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.502 2.135 . . . . 0.0 112.415 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -53.49 -31.81 47.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -110.1 154.67 22.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.676 HG21 HD11 ' A' 1643 ' ' LEU . 81.8 p -115.28 -19.47 10.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 73.3 p -127.86 67.56 1.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 95.6 m -145.63 -32.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.792 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 80.4 p -92.24 -0.73 57.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 35.0 t 59.15 17.41 5.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 52.1 t -103.72 -73.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.068 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 49.11 80.78 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1641 ' ' ALA . . . . . 0.454 ' HB3' HD23 ' A' 1523 ' ' LEU . . . -143.63 -48.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.899 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.517 ' HE1' ' HB ' ' A' 1525 ' ' ILE . 68.6 t80 -72.05 -18.3 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.517 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.676 HD11 HG21 ' A' 1634 ' ' THR . 86.3 mt -83.86 4.21 30.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -89.67 -35.98 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.049 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -82.83 -24.53 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.486 HD12 HD21 ' A' 1643 ' ' LEU . 86.9 mt -71.47 -33.09 69.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.75 -31.25 71.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -70.85 -39.86 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.569 ' HE1' ' HE3' ' A' 1531 ' ' LYS . 90.9 t80 -69.88 -27.15 64.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -54.89 -54.92 36.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.419 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -86.64 -4.01 59.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.631 ' HA ' HD21 ' A' 1656 ' ' ASN . 23.6 t70 -78.62 -68.94 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.957 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.769 HD13 ' HE2' ' A' 1531 ' ' LYS . 4.8 tp -56.61 -32.52 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.938 0.399 . . . . 0.0 110.974 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.89 -49.75 64.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -91.92 -71.54 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.991 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.631 HD21 ' HA ' ' A' 1652 ' ' ASP . 25.2 m-80 -54.27 -74.76 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.599 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 70.88 157.52 2.37 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.232 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.157 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 48.2 t 59.15 99.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.881 0.372 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -115.38 3.05 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.1 ptt? -92.28 141.63 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -169.86 -77.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -138.84 -73.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.546 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.51 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 16.0 t 51.23 95.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.65 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 74.69 43.96 27.31 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.676 -0.774 . . . . 0.0 111.741 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.7 135.23 19.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.908 0.385 . . . . 0.0 111.199 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.616 ' HE2' HG22 ' A' 1627 ' ' ILE . 85.7 mtp -129.1 167.23 17.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -91.14 169.72 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.16 172.16 6.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -110.1 113.75 26.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 84.1 mt 59.49 97.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.476 ' O ' HG21 ' A' 1524 ' ' THR . 8.4 t70 -160.73 89.16 0.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.586 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.814 ' H ' HD23 ' A' 1523 ' ' LEU . 0.5 OUTLIER -56.36 101.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1524 ' ' THR . . . . . 0.476 HG21 ' O ' ' A' 1522 ' ' ASP . 10.5 t -173.44 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 9.8 mm -60.5 150.74 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1526 ' ' SER . . . . . 0.462 ' HB2' ' OG1' ' A' 1529 ' ' THR . 54.6 m -118.52 140.04 50.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.0 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' 1532 ' ' GLN . 15.2 mm-40 -84.36 -35.5 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1529 ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' 1526 ' ' SER . 78.7 m -57.98 -34.57 70.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.593 HH12 HD21 ' A' 1646 ' ' LEU . 67.7 mtt180 -76.25 -34.22 59.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.736 ' HE2' HD11 ' A' 1653 ' ' ILE . 2.8 tppp? -72.78 -29.21 63.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.166 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.3 mm-40 -61.81 -16.47 50.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.982 0.42 . . . . 0.0 110.362 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.788 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 28.7 m -116.85 -19.29 9.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.617 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' 1531 ' ' LYS . . . -78.81 -25.07 44.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.203 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.8 t -85.43 -14.62 45.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.788 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.8 mtmt -79.28 149.61 72.81 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.9 -11.51 15.35 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.727 2.285 . . . . 0.0 112.418 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.426 ' C ' HD13 ' A' 1539 ' ' ILE . 40.2 tt0 -61.1 -34.43 74.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.769 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.919 HG22 ' HG2' ' A' 1602 ' ' MET . 2.6 mp -112.76 130.15 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.11 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.761 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -95.13 -58.45 2.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.27 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.541 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.2 p90 -105.53 157.28 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.276 0.56 . . . . 0.0 111.922 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' 1568 ' ' LYS . . . -149.53 94.88 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.214 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.765 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 24.1 p90 -144.99 165.86 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.165 0.507 . . . . 0.0 111.873 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.482 ' HE3' ' OH ' ' A' 1567 ' ' TYR . 18.4 ttmt -105.19 141.27 37.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.914 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.757 HG13 ' HA ' ' A' 1563 ' ' LEU . 17.9 m -131.14 179.79 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.998 0.427 . . . . 0.0 111.631 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.508 ' HB3' HD13 ' A' 1564 ' ' LEU . 59.9 p -140.06 115.74 10.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.038 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.679 HD13 ' HB1' ' A' 1561 ' ' ALA . 45.9 mm -59.25 139.01 19.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.596 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 76.9 p -138.76 2.13 2.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.863 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 47.4 t -173.18 160.46 4.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.992 0.425 . . . . 0.0 111.572 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.401 HG21 ' CD1' ' A' 1559 ' ' TYR . 81.1 mt -140.3 111.63 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.622 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 56.5 m -114.23 139.57 49.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.248 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.5 p -140.84 135.83 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -100.1 -75.92 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -145.11 -51.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 88.6 t -124.26 -54.39 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.68 100.87 8.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' 1584 ' ' LYS . 13.7 p -81.35 148.04 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.717 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -134.99 112.4 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.427 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 70.5 m-85 -94.27 138.63 32.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.964 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.863 ' HB3' ' HB3' ' A' 1549 ' ' SER . 4.7 tppp? -99.28 128.34 45.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.679 ' HB1' HD13 ' A' 1547 ' ' ILE . . . -145.7 138.37 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 111.6 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.3 m -91.71 125.19 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.831 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.757 ' HA ' HG13 ' A' 1545 ' ' VAL . 7.4 tt -59.86 130.27 45.94 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' 1546 ' ' SER . 78.1 mt -88.37 -46.56 9.07 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.196 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.476 ' N ' HD22 ' A' 1563 ' ' LEU . 14.5 t70 -169.43 139.97 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.913 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.765 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 61.2 mt -97.27 121.92 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.762 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.482 ' OH ' ' HE3' ' A' 1544 ' ' LYS . 11.3 m-85 -96.61 -17.38 20.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.331 0.586 . . . . 0.0 109.464 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 63.0 tttp -150.05 102.13 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.714 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 24.3 m -41.68 135.55 2.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.068 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.586 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -84.4 139.75 18.41 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.661 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.761 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 29.6 mt-10 -52.42 -22.34 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.122 0.487 . . . . 0.0 110.058 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -86.44 -157.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.671 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.476 ' O ' HG21 ' A' 1573 ' ' VAL . 12.4 p -84.15 42.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.254 0.549 . . . . 0.0 111.006 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.586 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -61.77 130.01 43.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -145.9 145.58 30.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.736 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.431 ' HA ' HD23 ' A' 1563 ' ' LEU . 39.9 ttpt -58.42 126.12 26.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.546 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.711 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.2 t70 64.53 38.49 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.436 ' H ' ' HB3' ' A' 1563 ' ' LEU . 29.7 t -87.79 -178.86 6.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1579 ' ' GLU . . . . . 0.402 ' N ' ' OG ' ' A' 1578 ' ' SER . 41.2 tt0 -107.63 121.51 44.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.512 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.739 HD12 HG11 ' A' 1545 ' ' VAL . 14.6 pt -136.57 149.93 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 111.732 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 53.5 m -128.17 112.74 14.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.547 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.524 ' HA ' ' O ' ' A' 1619 ' ' TYR . 17.9 m-85 -81.22 104.56 11.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.273 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.665 HG21 ' HA ' ' A' 1620 ' ' PRO . 8.2 tt -88.49 123.4 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.722 ' HD3' HD21 ' A' 1621 ' ' LEU . 35.8 ttpt -129.44 168.06 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.775 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.627 ' HB3' HG22 ' A' 1587 ' ' THR . 3.5 mptp? -99.39 136.77 38.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.397 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 35.9 m -77.97 8.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.398 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1587 ' ' THR . . . . . 0.627 HG22 ' HB3' ' A' 1585 ' ' LYS . 6.6 t -93.18 -5.58 49.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.363 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.51 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 83.1 m -65.22 174.87 1.86 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1589 ' ' THR . . . . . 0.445 HG22 ' O ' ' A' 1589 ' ' THR . 6.0 m -148.51 11.34 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -135.07 -19.61 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.331 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -87.02 126.4 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.362 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -139.72 137.53 35.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.792 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.459 ' HB3' HH22 ' A' 1597 ' ' ARG . 98.9 mt -135.66 135.55 40.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.073 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 1.6 p -132.42 100.81 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.408 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 53.5 tttp -45.97 108.78 0.14 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.225 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 153.32 21.45 0.05 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.081 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.523 ' N ' ' HD3' ' A' 1597 ' ' ARG . 0.3 OUTLIER -160.51 -178.57 6.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 111.113 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -107.1 158.58 16.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.494 ' HE2' ' HE ' ' A' 1597 ' ' ARG . 2.3 m-85 -142.96 161.4 38.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 111.595 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.881 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 3.3 tm? -117.1 129.05 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.772 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.595 HD11 HG22 ' A' 1545 ' ' VAL . 2.4 mp -118.02 132.59 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.997 0.427 . . . . 0.0 111.514 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.919 ' HG2' HG22 ' A' 1539 ' ' ILE . 24.8 ttp -150.14 110.65 4.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.108 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.837 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -174.65 -173.12 40.3 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 119.74 -1.219 . . . . 0.0 113.642 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.434 ' H ' HD13 ' A' 1624 ' ' LEU . 23.7 tptp -50.37 161.47 0.3 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.858 0.361 . . . . 0.0 111.372 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.43 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.1 pt-20 -59.95 178.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.464 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.476 ' HB1' ' CE2' ' A' 1619 ' ' TYR . . . -77.78 -170.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.25 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' 1617 ' ' TYR . 94.6 mt -123.14 -168.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.996 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' 1616 ' ' ARG . 20.5 pt20 -172.48 85.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.151 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.789 HG21 ' HG3' ' A' 1610 ' ' LYS . 10.7 tp -62.42 -15.1 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.313 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.922 ' HB2' ' HA ' ' A' 1615 ' ' PHE . 29.2 mtpp -136.77 -177.65 4.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 20.4 p90 -147.42 -33.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -105.74 161.81 14.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.443 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 66.1 -76.27 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.3 t -156.52 94.62 1.49 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.848 0.356 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.922 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 2.3 p90 -69.26 158.66 34.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.566 ' HG3' HG22 ' A' 1618 ' ' ILE . 21.7 tpt180 -113.37 97.04 6.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.883 0.373 . . . . 0.0 111.016 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.52 ' HA ' ' O ' ' A' 1607 ' ' LEU . 3.4 m-85 -87.62 27.24 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.455 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.566 HG22 ' HG3' ' A' 1616 ' ' ARG . 20.6 pt -54.83 155.61 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' 1582 ' ' PHE . 7.7 m-85 -110.54 113.64 55.67 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.013 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1620 ' ' PRO . . . . . 0.665 ' HA ' HG21 ' A' 1583 ' ' ILE . 32.6 Cg_endo -63.51 176.38 2.22 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.492 2.128 . . . . 0.0 112.179 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.722 HD21 ' HD3' ' A' 1584 ' ' LYS . 48.7 tp -143.71 106.71 4.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -142.52 -163.57 1.64 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 45.5 t -67.87 -41.4 82.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.435 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.434 HD13 ' H ' ' A' 1604 ' ' LYS . 0.1 OUTLIER -56.78 -33.14 66.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.806 0.336 . . . . 0.0 110.686 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 85.7 m -75.74 103.36 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.526 ' HB3' ' HB3' ' A' 1602 ' ' MET . 47.6 t-105 -59.9 119.99 8.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.616 HG22 ' HE2' ' A' 1517 ' ' MET . 48.4 mm -115.37 115.42 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.731 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.881 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 11.0 tp10 -121.6 110.49 16.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.247 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' A' 1597 ' ' ARG . 13.4 t80 -60.4 124.41 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.427 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.427 ' CH2' ' HB3' ' A' 1646 ' ' LEU . 7.3 t-105 -101.02 108.84 56.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.7 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.655 ' HB2' HD22 ' A' 1643 ' ' LEU . 46.5 Cg_exo -56.28 127.8 27.52 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.562 2.174 . . . . 0.0 112.33 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -94.77 -23.36 17.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.774 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 3.5 p30 -86.16 129.61 34.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.009 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.446 ' HA ' ' HB3' ' A' 1640 ' ' GLN . 68.7 p -142.48 12.64 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 82.6 p -85.7 -45.23 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.487 ' HB3' ' SG ' ' A' 1639 ' ' CYS . 53.8 t -60.96 152.72 26.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.036 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.4 t -71.17 -52.45 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 54.2 m -59.58 -27.45 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' 1636 ' ' CYS . 73.0 m -80.41 -155.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.748 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.899 ' HA ' HD23 ' A' 1643 ' ' LEU . 20.4 pt20 42.62 30.01 0.2 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -101.44 -23.3 14.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.474 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 56.2 t80 -92.81 -20.23 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.029 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.899 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -73.48 -12.61 60.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -82.27 -23.06 35.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -92.05 -10.78 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.745 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.593 HD21 HH12 ' A' 1530 ' ' ARG . 85.8 mt -93.52 -24.45 17.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.06 -25.05 61.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -76.18 -35.3 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.458 ' O ' HG21 ' A' 1653 ' ' ILE . 88.8 t80 -85.72 -22.79 27.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.7 89.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.97 -33.0 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.692 ' HA ' HD22 ' A' 1656 ' ' ASN . 15.4 t70 -50.99 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.414 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.736 HD11 ' HE2' ' A' 1531 ' ' LYS . 7.0 tp -57.34 -32.11 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.374 . . . . 0.0 111.329 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1654 ' ' PHE . . . . . 0.546 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 16.2 t80 -68.82 -30.86 69.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.436 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.546 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 93.8 mt -101.98 -75.05 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.44 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.692 HD22 ' HA ' ' A' 1652 ' ' ASP . 1.7 p30 -77.66 -59.61 2.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.525 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.681 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 68.26 105.35 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.546 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1658 ' ' CYS . . . . . 0.608 ' H ' ' HZ2' ' A' 1531 ' ' LYS . 34.7 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.154 -0.927 . . . . 0.0 111.223 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 54.4 m 58.66 -173.14 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.815 0.341 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 63.8 m80 -118.29 129.73 55.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 95.6 mmm -113.42 122.05 46.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -152.74 154.12 34.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.69 -65.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.514 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 50.4 t 58.98 104.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.749 ' HA3' ' HB1' ' A' 1591 ' ' ALA . . . 97.26 -60.24 1.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.919 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 54.97 97.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.763 0.316 . . . . 0.0 111.389 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.677 ' HE2' HG23 ' A' 1627 ' ' ILE . 62.0 mtt -102.17 156.08 17.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1518 ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' 1628 ' ' GLU . 11.5 pt20 -86.09 -175.29 5.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.459 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 47.1 mt-10 -69.82 -170.36 0.32 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.16 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -133.08 130.58 39.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.344 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 30.6 mt 59.74 17.14 6.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.698 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.654 ' HB3' HG23 ' A' 1524 ' ' THR . 1.6 m-20 -84.84 108.15 17.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.696 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.512 HD22 ' HD1' ' A' 1642 ' ' PHE . 27.3 mt -75.33 5.24 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.967 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1524 ' ' THR . . . . . 0.654 HG23 ' HB3' ' A' 1522 ' ' ASP . 6.7 t -60.71 -24.52 65.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.201 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 69.1 mt -89.87 130.87 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 46.2 t -91.05 167.37 12.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -70.75 -20.94 62.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.4 mt-10 -90.4 -40.09 12.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 59.9 m -58.88 -37.39 76.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.479 HH12 HD21 ' A' 1646 ' ' LEU . 42.1 ttm180 -72.41 -34.5 67.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.736 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.695 ' HD2' ' HB2' ' A' 1534 ' ' ALA . 23.2 tptm -67.35 -27.21 66.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.1 mm-40 -57.43 -20.68 31.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.057 0.456 . . . . 0.0 110.463 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.696 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 89.7 m -90.71 -30.31 17.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.817 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.695 ' HB2' ' HD2' ' A' 1531 ' ' LYS . . . -72.77 1.53 8.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.527 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1535 ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 19.2 t -123.79 7.61 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.696 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.7 mtmt -86.81 147.53 43.6 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.051 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.96 -30.01 89.09 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.699 2.266 . . . . 0.0 112.186 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.06 -12.27 61.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.521 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' 1603 ' ' GLY . 14.7 mm -115.43 115.22 48.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.152 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.422 ' O ' ' HE3' ' A' 1568 ' ' LYS . . . -92.02 -54.32 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.499 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.501 ' HE1' HG23 ' A' 1601 ' ' ILE . 2.7 p90 -112.21 162.93 14.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.317 0.58 . . . . 0.0 112.066 -178.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' 1568 ' ' LYS . . . -153.05 98.71 2.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.725 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.621 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.7 OUTLIER -142.83 -179.27 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.282 0.563 . . . . 0.0 112.45 -178.568 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.509 ' HG2' HD13 ' A' 1564 ' ' LEU . 30.2 ttpt -113.31 125.75 54.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.444 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.698 HG11 HD12 ' A' 1580 ' ' ILE . 19.2 m -118.15 -178.93 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.911 0.386 . . . . 0.0 111.656 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.497 ' HB3' HD11 ' A' 1564 ' ' LEU . 81.8 p -149.71 113.64 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.865 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.804 HD13 ' HB3' ' A' 1561 ' ' ALA . 48.5 mm -55.64 119.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.905 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 3.6 t -115.92 -20.42 9.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.466 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.56 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 39.5 t -147.28 153.55 39.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.009 0.433 . . . . 0.0 111.253 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' 1595 ' ' LYS . 83.9 mt -146.52 140.27 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1551 ' ' THR . . . . . 0.666 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 78.3 m -141.76 127.48 19.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.002 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.582 ' HA ' HG12 ' A' 1557 ' ' VAL . 93.3 t -108.18 126.33 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1553 ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' 1556 ' ' PHE . 13.4 mm-40 -106.46 -166.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.33 -72.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 97.0 t -97.76 -44.99 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.401 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.487 ' O ' ' HB2' ' A' 1553 ' ' GLU . 80.4 m-85 -91.26 169.13 11.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.582 HG12 ' HA ' ' A' 1552 ' ' VAL . 21.3 t -137.53 122.74 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.666 ' HB2' ' HB ' ' A' 1551 ' ' THR . 72.4 mmtt -85.65 148.32 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.222 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.457 ' CE2' ' HE3' ' A' 1584 ' ' LYS . 67.1 m-85 -145.24 142.75 29.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.56 ' HB2' ' HB3' ' A' 1549 ' ' SER . 59.5 mttp -137.48 128.44 27.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.526 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.804 ' HB3' HD13 ' A' 1547 ' ' ILE . . . -137.35 142.41 41.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.66 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.0 m -84.51 124.39 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.993 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.606 HD13 ' HB2' ' A' 1543 ' ' TYR . 9.1 tp -66.78 97.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.55 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.509 HD13 ' HG2' ' A' 1544 ' ' LYS . 93.7 mt -54.09 -48.34 70.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.455 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.9 t70 -166.44 162.05 16.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.542 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.621 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 45.8 mt -109.92 136.65 45.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.019 0.437 . . . . 0.0 111.94 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.428 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 21.7 m-85 -112.88 -17.01 12.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.2 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.584 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 62.6 tttp -154.31 112.18 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.696 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 58.0 m -45.71 147.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.076 0.465 . . . . 0.0 112.029 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.708 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -104.73 133.85 11.74 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.326 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.53 -27.74 66.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.834 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.16 42.2 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 86.4 t 55.58 90.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.198 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.708 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -110.08 137.75 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.721 ' HG2' ' HB2' ' A' 1578 ' ' SER . 0.8 OUTLIER -144.66 146.58 32.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.496 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.469 ' HG3' ' HA ' ' A' 1565 ' ' ASP . 29.1 ttpp -54.75 148.29 13.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.562 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.9 p30 47.08 40.6 9.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.524 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.721 ' HB2' ' HG2' ' A' 1575 ' ' GLU . 24.8 t -83.4 -166.63 1.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.703 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -131.14 111.38 11.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.508 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.698 HD12 HG11 ' A' 1545 ' ' VAL . 6.3 pt -122.68 144.5 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.999 0.428 . . . . 0.0 111.574 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1581 ' ' THR . . . . . 0.451 HG23 ' O ' ' A' 1559 ' ' TYR . 86.4 m -123.1 123.93 41.95 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.357 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.505 ' HE1' HD11 ' A' 1580 ' ' ILE . 69.2 m-85 -112.63 146.77 38.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.55 HG23 ' HA ' ' A' 1558 ' ' LYS . 29.5 pt -139.73 150.49 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 111.145 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.719 ' HB3' HD22 ' A' 1621 ' ' LEU . 22.1 pttp -145.52 -173.95 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -98.56 -176.42 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.813 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.0 p -88.26 -25.4 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 73.9 p -70.32 -22.82 62.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.326 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.514 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.3 m -59.31 104.64 0.27 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.01 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 57.5 m -102.13 -31.7 10.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.576 ' N ' HD21 ' A' 1590 ' ' ASN . 0.8 OUTLIER -74.95 -19.52 60.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.749 ' HB1' ' HA3' ' A' 1515 ' ' GLY . . . -108.66 109.37 20.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -142.58 108.06 5.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.729 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.0 mt -83.52 164.73 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.019 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.406 HG13 ' CZ ' ' A' 1597 ' ' ARG . 85.7 t -132.46 133.18 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.614 ' HB2' HD12 ' A' 1550 ' ' ILE . 41.0 ttmt -62.74 136.4 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 61.1 68.68 1.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.502 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 39.6 ttm180 -162.59 152.55 16.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.561 ' HB2' ' HB3' ' A' 1630 ' ' TRP . 49.9 mt-30 -91.6 134.5 34.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.305 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.502 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 76.2 m-85 -138.5 144.93 40.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.055 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.724 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 59.8 tp -95.85 118.96 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.347 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.501 HG23 ' HE1' ' A' 1541 ' ' TYR . 80.1 mt -111.88 123.21 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.101 0.477 . . . . 0.0 111.783 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.709 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 79.8 mtp -137.04 107.58 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.105 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.502 ' N ' HG22 ' A' 1539 ' ' ILE . . . -170.15 178.4 42.96 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.159 -1.019 . . . . 0.0 113.265 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.574 ' C ' ' HD3' ' A' 1604 ' ' LYS . 0.0 OUTLIER -58.96 166.26 2.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.568 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.834 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.3 pt-20 -66.0 -168.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.363 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -82.91 -171.31 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 22.5 tp -131.66 20.2 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.975 0.417 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 40.14 87.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' 1610 ' ' LYS . 7.6 tp -59.9 -48.21 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.396 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.697 ' HG2' ' H ' ' A' 1611 ' ' TYR . 37.7 tttm 49.45 -161.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.956 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1611 ' ' TYR . . . . . 0.697 ' H ' ' HG2' ' A' 1610 ' ' LYS . 48.2 t80 64.11 167.11 0.15 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.093 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 43.8 t30 66.35 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -116.13 -64.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 111.037 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 46.6 t -164.88 166.43 19.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.804 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1615 ' ' PHE . . . . . . . . . . . . . 44.4 p90 -59.41 141.4 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.468 ' H ' HG22 ' A' 1609 ' ' ILE . 98.4 mtt180 -124.98 -8.8 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 57.37 22.49 7.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.103 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 34.8 pt -57.68 139.13 17.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.712 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -97.2 136.21 21.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.142 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.95 -14.52 44.01 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.6 2.2 . . . . 0.0 112.498 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' 1584 ' ' LYS . 60.9 tp 51.08 89.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.459 ' HB2' ' HG ' ' A' 1624 ' ' LEU . 9.8 m-20 -117.62 -172.77 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.3 p -66.0 -15.43 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' A' 1622 ' ' ASP . 1.4 pp -80.08 -4.09 51.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.4 m -88.67 105.72 17.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.709 ' HB3' ' HB2' ' A' 1602 ' ' MET . 45.4 t-105 -68.64 103.05 1.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.739 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.677 HG23 ' HE2' ' A' 1517 ' ' MET . 66.9 mt -110.39 122.28 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.724 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 42.0 tt0 -122.64 147.82 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.52 ' O ' ' HD3' ' A' 1631 ' ' PRO . 20.0 t80 -84.35 124.7 31.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.453 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.561 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 5.0 t-105 -105.36 95.9 10.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.55 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.736 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.6 Cg_exo -55.66 113.81 1.59 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.707 2.271 . . . . 0.0 112.462 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -73.08 -30.51 63.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.787 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.11 129.99 40.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 77.6 p -139.37 -5.13 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 6.6 t -63.61 -29.11 70.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.324 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 81.1 m -100.57 135.1 42.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 55.0 m -80.28 -2.72 46.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 49.0 m -86.22 -4.42 59.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 81.9 m -137.5 -22.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.77 ' HA ' HD22 ' A' 1643 ' ' LEU . 28.8 tt0 -65.01 -20.38 66.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -56.1 -29.69 60.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.512 ' HD1' HD22 ' A' 1523 ' ' LEU . 68.7 t80 -75.78 -30.99 59.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.75 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.77 HD22 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -78.51 -6.35 55.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.72 -40.88 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.07 -1.27 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.491 HD11 ' HA ' ' A' 1643 ' ' LEU . 93.7 mt -95.14 -35.26 11.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.709 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.61 -34.82 78.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.69 -39.86 88.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' 1653 ' ' ILE . 89.9 t80 -63.24 -28.61 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -56.1 -60.76 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -24.25 58.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.13 -6.77 9.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.269 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.481 HG13 ' HE3' ' A' 1531 ' ' LYS . 20.2 tt -133.03 -25.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.988 0.423 . . . . 0.0 110.899 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.02 -34.61 61.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.836 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' 1655 ' ' LEU . 4.8 tt -80.94 -48.82 11.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.933 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.492 ' H ' ' ND2' ' A' 1656 ' ' ASN . 0.7 OUTLIER -99.88 -68.06 0.82 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.721 -179.207 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 71.55 100.97 0.06 OUTLIER Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.344 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1658 ' ' CYS . . . . . 0.529 ' H ' ' HZ1' ' A' 1531 ' ' LYS . 41.6 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.925 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 52.5 m -141.01 158.15 44.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -91.06 117.75 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.87 -176.19 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -146.32 162.57 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.737 ' HA ' HD21 ' A' 1590 ' ' ASN . 4.6 p-10 -90.88 25.6 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' 1591 ' ' ALA . 29.0 t -50.4 107.63 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.9 0.381 . . . . 0.0 110.351 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 80.97 40.9 11.02 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.744 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -41.64 103.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.32 -0.44 . . . . 0.0 111.229 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.429 ' HG3' ' O ' ' A' 1515 ' ' GLY . 64.4 mtt -93.91 124.83 38.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.07 169.95 6.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -68.8 168.44 13.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.067 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -108.09 130.99 55.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 98.1 mt 55.72 87.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -148.17 102.56 3.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' 1642 ' ' PHE . 97.6 mt -70.69 97.42 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1524 ' ' THR . . . . . 0.5 HG21 HG13 ' A' 1525 ' ' ILE . 6.8 t -167.44 -23.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.5 HG13 HG21 ' A' 1524 ' ' THR . 52.8 mt -97.79 105.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 83.0 p -63.6 164.48 9.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1527 ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' 1649 ' ' PHE . . . -70.86 -8.85 55.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.1 mt-10 -94.91 -31.37 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 69.2 m -62.52 -33.86 75.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' 1530 ' ' ARG . 61.0 mtt180 -83.61 -40.35 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1531 ' ' LYS . . . . . . . . . . . . . 63.9 tttm -59.57 -45.86 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' 1528 ' ' GLU . 79.9 mt-30 -58.14 -24.14 57.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.015 0.436 . . . . 0.0 110.186 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.77 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 60.5 m -86.24 -26.89 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.419 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.463 ' HB2' ' HE3' ' A' 1602 ' ' MET . . . -63.52 -46.12 87.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.959 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 36.9 t -91.22 3.05 55.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.77 ' HE3' ' HA ' ' A' 1533 ' ' THR . 40.6 ttmt -58.26 140.92 83.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.758 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.51 -20.12 32.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.559 2.173 . . . . 0.0 112.227 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.467 ' H ' ' HG2' ' A' 1536 ' ' LYS . 38.9 tt0 -85.11 -23.84 28.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.699 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.86 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -104.79 115.17 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.33 -47.18 18.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.84 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.7 p90 -125.46 155.77 39.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.158 0.504 . . . . 0.0 111.716 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' 1568 ' ' LYS . . . -143.62 97.96 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.39 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.714 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.5 p90 -149.53 170.11 19.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.051 0.453 . . . . 0.0 111.798 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' 1564 ' ' LEU . 86.3 tttt -104.78 140.77 37.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.457 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.748 HG13 ' HA ' ' A' 1563 ' ' LEU . 24.3 m -137.05 -178.75 2.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.054 0.454 . . . . 0.0 111.628 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 21.0 t -149.28 127.19 11.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.622 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.26 139.72 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1548 ' ' THR . . . . . 0.459 ' O ' ' HE2' ' A' 1595 ' ' LYS . 68.2 p -131.04 -25.77 2.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.598 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.725 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 38.2 t -150.22 156.24 41.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 0.0 111.332 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 79.9 mt -141.65 111.85 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1551 ' ' THR . . . . . 0.841 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 93.1 m -92.04 123.49 35.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 5.2 p -102.11 132.98 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1553 ' ' GLU . . . . . 0.623 ' HG3' ' H ' ' A' 1554 ' ' ASN . 7.3 tp10 -124.38 177.61 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1554 ' ' ASN . . . . . 0.623 ' H ' ' HG3' ' A' 1553 ' ' GLU . 5.5 p30 -49.53 -45.61 47.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.358 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.435 HG22 ' OD1' ' A' 1554 ' ' ASN . 54.8 t -129.92 -53.05 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 111.19 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -72.35 162.05 30.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.3 t -138.61 106.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.841 ' HB2' ' HB ' ' A' 1551 ' ' THR . 11.5 mptt -79.23 149.16 31.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.577 ' HE2' ' HB3' ' A' 1584 ' ' LYS . 86.2 m-85 -131.1 114.48 15.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.02 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.725 ' HB2' ' HB3' ' A' 1549 ' ' SER . 14.1 mmmm -99.92 109.64 22.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.369 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -125.08 157.9 35.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.0 0.429 . . . . 0.0 111.449 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -105.99 134.32 49.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.018 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.748 ' HA ' HG13 ' A' 1545 ' ' VAL . 5.9 tt -66.11 143.05 57.55 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' 1563 ' ' LEU . 7.5 mp -101.4 -48.65 4.29 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.646 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.478 ' N ' HD22 ' A' 1563 ' ' LEU . 15.5 t70 -166.54 134.11 2.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.512 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.714 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 69.1 mt -91.56 128.25 43.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.095 0.474 . . . . 0.0 112.108 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.697 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 69.8 m-85 -109.12 -15.17 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.187 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 28.4 tptp -153.47 120.13 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.69 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1569 ' ' THR . . . . . 0.483 HG23 ' H ' ' A' 1571 ' ' GLU . 4.0 m -48.61 157.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.048 0.451 . . . . 0.0 111.829 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.84 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -99.79 3.83 57.55 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.867 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' 1570 ' ' GLY . 44.4 mt-10 74.5 -43.84 0.54 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.474 0.31 . . . . 0.0 110.969 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -87.4 46.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 0.0 110.23 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 81.5 t 59.51 85.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.059 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.528 ' HB2' HD13 ' A' 1566 ' ' ILE . . . -90.62 139.82 30.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.428 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' A' 1578 ' ' SER . 40.9 mt-10 -131.28 142.46 50.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.805 0.336 . . . . 0.0 111.384 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 60.6 mttp -58.4 139.51 55.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.089 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.736 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.7 p30 46.55 34.48 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.339 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 57.2 p -68.14 -166.99 0.07 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.739 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -115.29 109.2 17.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.574 ' HB ' ' HE2' ' A' 1619 ' ' TYR . 37.6 pt -110.03 139.97 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.618 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 76.7 m -132.47 113.8 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.978 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.736 ' HB3' ' HB2' ' A' 1619 ' ' TYR . 1.7 p90 -123.5 131.86 53.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.742 HG23 ' HG3' ' A' 1558 ' ' LYS . 32.1 pt -100.04 163.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.24 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.82 ' HB2' HD22 ' A' 1621 ' ' LEU . 39.8 ttpt -153.5 140.79 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -79.44 158.03 27.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.8 p -72.86 -11.56 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 81.7 p -69.48 -34.86 74.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.8 m -60.12 111.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.697 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 87.1 m -97.94 -42.78 7.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.48 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.737 HD21 ' HA ' ' A' 1513 ' ' ASP . 89.7 m-20 -70.07 -3.84 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.231 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' 1514 ' ' CYS . . . -108.55 119.17 38.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.073 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -141.4 109.02 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 91.5 mt -97.23 149.02 22.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.667 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 59.8 t -123.53 139.98 48.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.459 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.3 tttm -79.93 115.45 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 112.85 -8.45 25.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.773 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.667 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 84.8 mtt180 -92.51 176.1 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 111.41 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -122.41 132.54 54.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.444 ' HH ' ' H ' ' A' 1594 ' ' VAL . 78.1 m-85 -134.26 148.24 50.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.015 0.436 . . . . 0.0 111.364 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 58.3 tp -97.77 123.9 41.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.019 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.556 HG23 ' HE1' ' A' 1541 ' ' TYR . 63.0 mt -112.67 125.31 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.132 0.492 . . . . 0.0 111.918 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.463 ' HE3' ' HB2' ' A' 1534 ' ' ALA . 77.0 mtp -142.61 107.39 4.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.2 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.86 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.54 -168.12 37.36 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.14 -1.029 . . . . 0.0 113.42 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' 1538 ' ' GLU . 71.7 mmtt -50.56 162.03 0.28 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.905 0.383 . . . . 0.0 111.465 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.443 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 12.0 pt-20 -78.15 -172.75 2.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.024 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.478 ' HB3' ' CE1' ' A' 1619 ' ' TYR . . . -84.82 -172.21 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 91.1 mt -121.66 129.66 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.471 ' HG2' ' HE1' ' A' 1617 ' ' TYR . 42.0 mt-30 -78.96 126.11 30.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.665 HD13 ' HD3' ' A' 1616 ' ' ARG . 40.2 pt -130.46 -17.35 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.384 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.81 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 41.0 ttmt 59.03 105.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 77.3 t80 -87.87 -74.16 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.029 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 6.9 t30 -106.5 -71.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -119.22 -38.85 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 49.4 m -106.01 145.02 31.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.81 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 91.8 m-85 -59.33 133.94 56.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.665 ' HD3' HD13 ' A' 1609 ' ' ILE . 78.7 ttt180 -88.9 105.67 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.658 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.471 ' HE1' ' HG2' ' A' 1608 ' ' GLN . 14.8 m-30 -84.46 102.26 12.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.555 HG22 ' HG2' ' A' 1616 ' ' ARG . 26.6 pt -124.33 130.67 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.736 ' HB2' ' HB3' ' A' 1582 ' ' PHE . 9.6 m-85 -79.06 133.43 61.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.014 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.41 -24.85 11.8 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.64 2.226 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.82 HD22 ' HB2' ' A' 1584 ' ' LYS . 48.9 tp 51.5 82.29 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.77 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 18.7 t70 -97.37 -78.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.7 p -162.88 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.7 pp -71.89 -27.82 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.627 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.482 ' O ' HG13 ' A' 1627 ' ' ILE . 61.6 m -57.73 99.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -60.93 108.24 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.829 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' 1625 ' ' THR . 71.4 mt -110.97 123.48 66.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -137.17 112.77 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.454 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 67.3 t80 -55.57 139.16 45.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.403 ' HA ' ' HD2' ' A' 1631 ' ' PRO . 5.2 t-105 -103.52 98.56 12.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.605 ' HG2' HD23 ' A' 1643 ' ' LEU . 11.3 Cg_endo -54.79 127.76 27.54 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.832 2.355 . . . . 0.0 112.334 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -111.8 17.34 19.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.223 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1633 ' ' ASP . . . . . 0.442 ' HB2' ' SG ' ' A' 1639 ' ' CYS . 9.7 m-20 -113.81 143.68 44.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.079 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.702 HG22 ' HA ' ' A' 1640 ' ' GLN . 25.0 p -150.61 81.39 1.34 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.793 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.709 HG22 ' H ' ' A' 1636 ' ' CYS . 0.7 OUTLIER -92.04 -67.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.637 -179.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.709 ' H ' HG22 ' A' 1635 ' ' THR . 51.9 t -161.92 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.823 0.344 . . . . 0.0 111.168 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 79.7 p -62.46 -169.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.153 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 45.4 t -67.8 0.07 3.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.01 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' 1633 ' ' ASP . 45.1 t -69.71 -16.6 63.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.752 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.702 ' HA ' HG22 ' A' 1634 ' ' THR . 9.4 tt0 -104.26 -39.23 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.13 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.41 ' HA ' HD21 ' A' 1523 ' ' LEU . 79.0 t80 -73.56 -36.43 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.605 HD23 ' HG2' ' A' 1631 ' ' PRO . 41.6 mt -70.44 -29.21 65.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -65.35 -23.86 67.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.588 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.05 -19.97 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.496 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.461 HD12 HD21 ' A' 1643 ' ' LEU . 98.5 mt -82.05 -29.97 31.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.57 -29.38 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.524 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.14 -18.9 65.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.574 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.545 ' HB2' ' HB3' ' A' 1527 ' ' ALA . 64.7 t80 -101.2 -26.69 13.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.678 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -73.86 0.4 13.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.367 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -131.97 -24.77 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' 1656 ' ' ASN . 15.0 t70 -77.48 -30.06 52.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.061 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.582 HG22 ' HD2' ' A' 1567 ' ' TYR . 8.9 tp -67.95 -22.9 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.024 0.44 . . . . 0.0 110.691 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 20.9 t80 -100.76 -39.09 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.54 -52.01 17.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.362 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.671 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -86.92 -67.3 0.83 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.056 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 79.82 164.48 29.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.94 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.4 t -142.52 160.07 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -101.02 143.8 30.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1511 ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' 1511 ' ' MET . 1.8 mpt? -96.05 -174.56 3.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -138.93 122.99 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.78 106.89 18.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.073 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.705 ' HB2' ' HA ' ' A' 1622 ' ' ASP . 0.1 OUTLIER -94.26 89.55 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.765 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 138.39 -53.51 0.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.33 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.415 ' HA ' ' ND2' ' A' 1590 ' ' ASN . 36.1 tt0 53.99 91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.776 0.322 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.468 ' H ' ' ND2' ' A' 1590 ' ' ASN . 78.6 mtp -62.45 136.33 57.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.776 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -81.35 167.38 19.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.627 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 45.9 mt-10 -62.45 159.25 15.9 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.56 -76.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.779 ' HG ' ' HB2' ' A' 1642 ' ' PHE . 4.9 mp -97.49 57.16 1.37 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.627 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 12.7 t70 -70.6 87.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.028 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 1521 ' ' LEU . 6.0 mt -88.99 22.42 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.179 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 77.2 p -94.63 -22.26 18.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.251 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.473 HG13 ' OD1' ' A' 1522 ' ' ASP . 92.9 mt -84.7 137.17 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 54.7 m -82.81 -173.71 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.801 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -99.34 1.23 44.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -123.04 -2.9 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 67.8 m -82.38 -47.98 11.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.066 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -95.11 -8.28 36.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.417 ' HG3' ' HE1' ' A' 1649 ' ' PHE . 54.9 tttm -64.87 -40.28 94.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -59.18 -17.09 24.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.578 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.612 ' HA ' ' HB2' ' A' 1536 ' ' LYS . 59.7 m -82.39 -33.65 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.837 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.583 ' HB2' ' HE3' ' A' 1602 ' ' MET . . . -61.53 -23.18 65.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.0 t -121.99 5.42 9.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.746 ' HB3' HD12 ' A' 1539 ' ' ILE . 39.6 ttmt -59.32 140.84 87.91 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.669 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.42 -32.1 71.35 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.596 2.197 . . . . 0.0 112.311 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.513 ' O ' ' HE2' ' A' 1604 ' ' LYS . 36.9 tt0 -74.67 -22.6 58.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.886 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.1 mp -101.79 122.65 54.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.448 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -84.51 -55.69 4.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.431 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.513 ' HE1' HG22 ' A' 1601 ' ' ILE . 6.6 p90 -112.78 158.33 20.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.309 0.576 . . . . 0.0 112.07 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.97 96.82 2.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.493 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.633 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 0.3 OUTLIER -146.6 -175.16 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 112.355 -178.627 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.484 ' HG2' HD13 ' A' 1564 ' ' LEU . 31.9 ttpt -118.26 126.7 52.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.708 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.765 HG12 ' HA ' ' A' 1563 ' ' LEU . 22.4 m -121.43 -174.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.26 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.644 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.9 t -156.06 114.63 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.575 HD13 ' HB1' ' A' 1561 ' ' ALA . 40.5 mm -59.62 143.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 4.0 t -148.62 -7.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.479 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.799 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 57.4 m -154.11 134.15 13.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.407 HG12 ' HD1' ' A' 1559 ' ' TYR . 73.6 mt -132.38 136.51 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 62.8 m -148.3 130.12 15.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.711 HG21 HG23 ' A' 1557 ' ' VAL . 7.6 p -109.34 141.08 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -103.03 -74.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -144.82 -77.01 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 31.6 t -93.42 -49.64 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -94.57 141.8 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.605 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.711 HG23 HG21 ' A' 1552 ' ' VAL . 41.1 t -110.11 128.32 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.234 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.431 ' HE2' HD11 ' A' 1583 ' ' ILE . 35.2 mmtp -90.26 143.96 26.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.446 ' HH ' ' NZ ' ' A' 1584 ' ' LYS . 90.3 m-85 -132.18 102.63 5.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.296 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.799 ' HB2' ' HB2' ' A' 1549 ' ' SER . 35.1 mmtp -79.29 116.73 19.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.233 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.575 ' HB1' HD13 ' A' 1547 ' ' ILE . . . -129.15 167.14 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.087 0.47 . . . . 0.0 111.651 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 20.5 m -116.07 123.4 47.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.735 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.765 ' HA ' HG12 ' A' 1545 ' ' VAL . 13.0 tp -68.26 98.77 0.84 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.535 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' 1546 ' ' SER . 87.1 mt -54.67 -61.36 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.319 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.566 ' O ' ' HB2' ' A' 1543 ' ' TYR . 7.4 m-20 -145.03 165.73 27.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.654 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.765 HG12 HD22 ' A' 1563 ' ' LEU . 55.6 mt -118.3 134.49 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.959 0.409 . . . . 0.0 111.936 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.633 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -113.23 -18.77 12.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.404 ' CB ' ' HB1' ' A' 1542 ' ' ALA . 6.9 tmtm? -156.59 110.32 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.5 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 24.6 m -43.3 148.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.175 0.512 . . . . 0.0 112.1 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.759 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -105.46 131.64 10.74 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.475 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.31 -26.82 68.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 110.573 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.822 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.14 42.73 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.473 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 80.4 t 58.9 88.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.428 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.759 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -116.94 120.71 39.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.25 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.561 ' HB3' ' HB3' ' A' 1578 ' ' SER . 9.7 tp10 -129.25 151.22 50.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.002 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.68 134.85 55.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.599 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.0 p30 46.0 36.73 3.18 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.394 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.561 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 76.8 p -80.18 -166.47 1.05 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.844 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.36 114.15 18.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.008 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.507 HD12 ' HE1' ' A' 1582 ' ' PHE . 1.7 pp -129.51 161.15 39.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.51 . . . . 0.0 111.939 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.4 m -127.91 130.21 48.12 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.507 ' HE1' HD12 ' A' 1580 ' ' ILE . 51.7 m-85 -112.94 116.7 30.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.543 HG21 ' HA ' ' A' 1620 ' ' PRO . 6.2 tt -94.04 107.82 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.233 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.686 ' HB2' HD12 ' A' 1621 ' ' LEU . 34.5 ttpt -92.45 153.15 19.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.416 ' N ' ' HG2' ' A' 1584 ' ' LYS . 67.5 mttm -89.39 149.56 22.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.5 p -79.79 -12.72 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 76.2 p -69.77 -32.79 71.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.5 m -56.2 106.57 0.29 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.771 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 9.7 t -87.48 12.65 11.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.469 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.468 ' ND2' ' H ' ' A' 1517 ' ' MET . 7.1 t30 -138.33 -40.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 111.175 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -65.01 110.11 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.153 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -142.92 101.74 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.89 166.92 18.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 93.9 t -130.34 132.0 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -72.26 131.56 42.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 76.4 52.05 6.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.515 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 40.3 ttm180 -155.59 149.31 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.614 ' HG2' HD11 ' A' 1564 ' ' LEU . 23.3 mt-30 -89.23 141.36 28.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.288 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.515 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 81.9 m-85 -142.82 164.33 30.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.597 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 61.6 tp -111.73 122.63 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.256 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.513 HG22 ' HE1' ' A' 1541 ' ' TYR . 74.4 mt -118.12 130.25 73.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 111.721 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.583 ' HE3' ' HB2' ' A' 1534 ' ' ALA . 59.0 mtp -145.38 106.87 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.169 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.886 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -173.99 -178.29 43.8 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.396 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.513 ' HE2' ' O ' ' A' 1538 ' ' GLU . 17.8 tppt? -61.14 161.75 8.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 111.022 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.822 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.1 pt-20 -67.46 -170.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.051 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.533 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -94.56 176.99 6.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.473 ' N ' HD13 ' A' 1607 ' ' LEU . 6.9 mp -109.09 96.54 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.574 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.484 HE21 ' HE2' ' A' 1617 ' ' TYR . 81.8 mt-30 -59.68 113.19 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.676 HD11 ' HD1' ' A' 1615 ' ' PHE . 29.4 pt -137.55 8.22 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 3.4 tmmm? -51.0 111.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -129.32 -35.97 1.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.762 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 17.6 m120 -133.39 -73.87 0.49 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -156.96 -50.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.215 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.1 p -66.57 -12.21 56.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.676 ' HD1' HD11 ' A' 1609 ' ' ILE . 78.1 m-85 -110.04 147.67 33.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.643 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 16.0 ptm180 174.1 -161.85 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.772 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.484 ' HE2' HE21 ' A' 1608 ' ' GLN . 37.3 m-85 -68.6 -76.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.412 HG12 ' HG3' ' A' 1616 ' ' ARG . 17.9 pt 35.58 98.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.435 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.533 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 18.7 m-85 -61.19 119.72 48.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.953 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1620 ' ' PRO . . . . . 0.543 ' HA ' HG21 ' A' 1583 ' ' ILE . 73.6 Cg_endo -74.49 123.66 8.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.505 2.137 . . . . 0.0 112.186 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' 1584 ' ' LYS . 96.2 mt -89.38 107.79 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.705 ' HA ' ' HB2' ' A' 1514 ' ' CYS . 9.3 p-10 -129.73 -160.99 1.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.0 p -76.4 7.63 4.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.696 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.478 ' HB3' ' OD2' ' A' 1622 ' ' ASP . 0.2 OUTLIER -105.2 -31.46 9.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.347 . . . . 0.0 110.636 179.84 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 61.8 m -68.9 109.89 4.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.426 ' HB3' ' HB2' ' A' 1602 ' ' MET . 58.0 t-105 -71.26 114.9 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.4 mt -117.84 133.82 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.597 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -141.4 119.31 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.98 128.07 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.231 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -102.86 102.32 26.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.122 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.689 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 71.6 Cg_exo -48.31 98.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.601 2.201 . . . . 0.0 112.604 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -76.01 -13.04 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.71 134.47 34.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.404 ' HB ' ' CD1' ' A' 1643 ' ' LEU . 4.4 t -166.21 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.093 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 7.5 t -91.26 -7.85 50.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 85.4 m -62.85 -49.67 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 64.0 p -145.99 -67.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 81.5 p -170.89 18.85 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 52.6 t -62.79 94.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -142.98 16.67 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.658 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.39 82.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.585 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.779 ' HB2' ' HG ' ' A' 1521 ' ' LEU . 47.8 t80 -91.2 -45.26 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.412 HD22 ' O ' ' A' 1631 ' ' PRO . 74.9 mt -53.32 -44.85 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.112 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -56.28 -54.79 41.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.946 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.23 -12.47 61.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 0.0 110.365 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 56.1 tp -90.36 -22.17 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.819 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -67.8 -34.81 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.673 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.54 -23.93 53.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.49 ' O ' HG21 ' A' 1653 ' ' ILE . 86.1 t80 -109.54 -23.29 11.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.665 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -67.71 -33.81 75.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.24 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -101.17 -10.38 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.982 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.529 ' HA ' HD21 ' A' 1656 ' ' ASN . 15.1 t70 -76.56 -69.3 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' 1649 ' ' PHE . 8.8 tp -58.9 -23.51 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 65.8 t80 -75.41 -53.19 9.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 5.7 tt -83.18 -65.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.529 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.529 HD21 ' HA ' ' A' 1652 ' ' ASP . 23.8 m-80 -58.6 -65.93 0.58 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.434 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 86.13 -179.0 49.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.853 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.2 p -96.13 127.66 42.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.759 0.314 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1510 ' ' HIS . . . . . 0.46 ' HE1' ' HE1' ' A' 1511 ' ' MET . 34.8 t-80 -150.24 133.47 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1511 ' ' MET . . . . . 0.46 ' HE1' ' HE1' ' A' 1510 ' ' HIS . 64.8 mtt 58.87 -171.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.972 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1512 ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' 1514 ' ' CYS . . . -98.55 111.1 23.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.541 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -78.91 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.348 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.457 ' O ' ' HB1' ' A' 1591 ' ' ALA . 13.8 t -51.11 107.91 0.21 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.902 0.382 . . . . 0.0 110.318 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 98.69 -45.41 1.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.664 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 51.69 94.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.411 -0.395 . . . . 0.0 111.336 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 26.5 mmt -85.82 132.86 34.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -81.86 162.79 22.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -70.32 -178.42 1.7 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.55 130.5 56.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 97.0 mt 58.91 20.2 7.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.35 109.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.774 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 87.4 mt -87.93 99.23 11.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 5.4 t -171.01 -38.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.439 HD12 ' HE ' ' A' 1530 ' ' ARG . 4.9 pt -91.43 133.4 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.2 p -91.99 -177.28 4.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -76.71 -9.22 58.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.5 mt-10 -93.56 -34.65 13.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 33.4 m -61.76 -21.29 64.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.439 ' HE ' HD12 ' A' 1525 ' ' ILE . 56.5 mtt180 -95.57 -37.71 10.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.043 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.521 ' HE2' HD11 ' A' 1653 ' ' ILE . 25.6 tptp -67.38 -39.42 85.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' 1528 ' ' GLU . 50.2 mt-30 -57.02 -17.67 10.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.972 0.415 . . . . 0.0 110.553 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.839 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 87.2 m -90.51 -39.76 12.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.723 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.594 ' HB1' ' HE1' ' A' 1602 ' ' MET . . . -59.84 -39.99 86.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.29 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1535 ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 41.2 t -64.54 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.047 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.839 ' HE3' ' HA ' ' A' 1533 ' ' THR . 10.3 mtmp? -66.23 149.51 97.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.25 -22.0 54.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.487 2.125 . . . . 0.0 112.183 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.88 -26.63 68.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.794 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.622 HG13 HG21 ' A' 1533 ' ' THR . 26.3 mm -101.55 96.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -70.75 -48.63 53.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.583 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.3 p90 -122.1 155.78 34.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.162 0.506 . . . . 0.0 111.415 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.537 ' N ' ' HB3' ' A' 1568 ' ' LYS . . . -145.74 98.7 3.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.918 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.616 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.6 p90 -146.82 176.54 9.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.441 . . . . 0.0 111.646 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.547 ' HZ3' HD12 ' A' 1564 ' ' LEU . 12.2 ptmm? -118.2 147.48 43.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.051 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.813 HG12 ' HA ' ' A' 1563 ' ' LEU . 8.5 m -140.0 -178.81 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.061 0.458 . . . . 0.0 111.724 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.416 ' HB2' HD13 ' A' 1564 ' ' LEU . 22.7 t -143.21 116.81 9.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.566 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 35.3 mm -60.04 142.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 65.9 p -126.8 -37.22 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.465 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 73.3 m -147.1 154.35 41.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.036 0.446 . . . . 0.0 111.369 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.2 mt -130.54 106.21 12.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.775 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 59.6 m -98.48 145.67 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 10.9 p -140.02 140.71 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.82 -74.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -144.97 -57.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 84.8 t -112.82 -59.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.401 ' HE1' ' HZ1' ' A' 1585 ' ' LYS . 89.7 m-85 -74.5 122.95 23.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.5 t -98.71 121.57 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.618 ' HZ3' HD11 ' A' 1583 ' ' ILE . 75.5 mmtt -90.61 153.25 20.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.742 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 97.6 m-85 -137.53 103.03 4.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.773 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -82.82 109.8 17.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -131.53 161.95 31.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.399 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.4 m -108.62 131.15 55.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.813 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.9 tp -70.11 105.66 2.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.212 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.602 ' H ' ' HA ' ' A' 1545 ' ' VAL . 84.0 mt -59.12 -61.39 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 111.246 -179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.582 ' O ' ' HB2' ' A' 1543 ' ' TYR . 9.2 m-20 -151.87 159.76 43.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.723 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.616 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 42.5 mt -112.59 134.88 53.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 120.987 0.422 . . . . 0.0 111.925 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.502 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 44.8 m-85 -113.29 -22.75 10.28 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.537 ' HB3' ' N ' ' A' 1542 ' ' ALA . 20.3 ttmm -144.62 109.64 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.517 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 52.2 m -46.49 143.9 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.067 0.46 . . . . 0.0 111.861 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.761 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -96.77 125.68 8.55 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.452 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -58.05 -25.0 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.563 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -92.3 42.05 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.476 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 76.4 t 60.35 95.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.447 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.761 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -126.21 128.16 46.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.477 ' O ' HD23 ' A' 1563 ' ' LEU . 45.4 mt-10 -133.51 153.03 51.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.033 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 61.8 tttm -57.32 123.33 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.636 ' HA ' ' O ' ' A' 1563 ' ' LEU . 21.4 t70 62.05 59.17 1.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.578 ' H ' ' HB3' ' A' 1563 ' ' LEU . 72.6 m -106.57 -179.43 3.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.498 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -103.28 129.49 50.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.591 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.442 HG22 ' CE1' ' A' 1619 ' ' TYR . 9.2 pt -135.72 144.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.403 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 23.2 m -124.08 106.93 10.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.742 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 56.0 m-85 -80.49 128.03 33.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.017 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.824 HG21 ' HA ' ' A' 1620 ' ' PRO . 3.5 tt -111.46 111.0 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.741 ' HB2' HD11 ' A' 1621 ' ' LEU . 1.5 tmmt? -115.26 126.24 54.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.858 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.401 ' HZ1' ' HE1' ' A' 1556 ' ' PHE . 66.9 mttm -68.2 141.62 55.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.5 p -58.69 -18.16 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.7 p -69.45 -34.84 75.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.726 ' HB2' ' HD3' ' A' 1584 ' ' LYS . 3.7 m -58.92 105.65 0.34 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 91.2 m -84.03 -41.51 17.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.376 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -81.93 19.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.209 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' 1514 ' ' CYS . . . -125.93 113.04 16.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -152.83 100.92 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.81 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.501 HD11 ' N ' ' A' 1593 ' ' LEU . 4.2 mp -92.02 155.24 18.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.433 HG13 ' HD3' ' A' 1597 ' ' ARG . 6.0 p -138.17 137.4 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.456 ' HA ' ' HB ' ' A' 1547 ' ' ILE . 21.6 ptmt -68.05 156.33 37.6 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 89.56 -1.02 81.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.696 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.45 ' CZ ' ' HH ' ' A' 1599 ' ' TYR . 27.5 mtp180 -122.27 165.35 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 111.263 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.432 ' HG3' ' HD2' ' A' 1632 ' ' ARG . 26.8 mt-30 -112.98 145.45 40.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.989 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.45 ' HH ' ' CZ ' ' A' 1597 ' ' ARG . 87.3 m-85 -139.96 150.64 44.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.916 0.389 . . . . 0.0 111.468 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' 1543 ' ' TYR . 58.6 tp -98.86 131.26 45.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.125 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.521 HD11 ' N ' ' A' 1601 ' ' ILE . 3.7 mp -118.72 132.93 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.075 0.464 . . . . 0.0 111.919 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.594 ' HE1' ' HB1' ' A' 1534 ' ' ALA . 74.4 mtp -147.55 111.24 5.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.127 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.562 ' N ' HG22 ' A' 1539 ' ' ILE . . . 177.44 -171.71 44.45 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 119.772 -1.204 . . . . 0.0 113.781 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -51.6 156.73 1.26 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.862 0.363 . . . . 0.0 111.383 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.558 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.0 pt-20 -65.39 162.69 17.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.848 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.5 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -64.81 148.21 51.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.6 -173.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.689 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.526 ' HG2' ' H ' ' A' 1609 ' ' ILE . 33.3 tt0 -131.45 171.62 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.783 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' 1609 ' ' ILE . 0.2 OUTLIER 39.79 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.501 179.497 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' 1616 ' ' ARG . 13.3 tmtt? -83.42 -81.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.574 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 78.2 t80 -177.45 -34.28 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.809 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 7.1 t30 -58.72 124.72 20.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 62.31 -81.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.236 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 46.8 t -141.92 -26.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.778 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1615 ' ' PHE . . . . . . . . . . . . . 49.2 p90 -172.98 157.88 3.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' A' 1610 ' ' LYS . 6.9 tpm_? -162.5 108.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.788 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.517 ' CE1' ' HG3' ' A' 1608 ' ' GLN . 2.6 m-85 -59.44 108.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' 1606 ' ' ALA . 36.1 pt -117.7 161.34 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.225 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 13.8 m-85 -110.9 109.54 57.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1620 ' ' PRO . . . . . 0.824 ' HA ' HG21 ' A' 1583 ' ' ILE . 65.1 Cg_endo -72.35 178.94 5.52 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' 1584 ' ' LYS . 96.3 mt -143.34 97.79 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.774 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.804 ' HB2' HD13 ' A' 1624 ' ' LEU . 12.0 m-20 -120.87 -162.86 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.6 p -80.69 3.71 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.673 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.804 HD13 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -103.55 -11.87 17.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.617 ' N ' HD12 ' A' 1624 ' ' LEU . 68.6 m -85.94 134.18 33.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.503 ' HB3' ' HB2' ' A' 1602 ' ' MET . 68.4 t-105 -98.56 113.99 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.799 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.633 HD12 HD23 ' A' 1621 ' ' LEU . 70.4 mt -122.29 111.6 31.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.01 115.4 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.564 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.446 ' O ' ' HD3' ' A' 1631 ' ' PRO . 91.1 t80 -53.63 136.56 38.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.182 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -102.3 100.67 16.21 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.283 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.523 ' HB2' HD12 ' A' 1643 ' ' LEU . 77.6 Cg_exo -48.27 121.68 6.5 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.687 2.258 . . . . 0.0 112.427 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1632 ' ' ARG . . . . . 0.432 ' HD2' ' HG3' ' A' 1598 ' ' GLN . 80.2 mtp180 -95.44 21.86 7.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.172 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -124.55 131.29 53.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 111.214 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.481 HG22 HD11 ' A' 1643 ' ' LEU . 69.8 p -138.36 6.79 2.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.937 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 71.9 p -58.22 -57.65 11.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.248 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.515 ' HB2' ' HB2' ' A' 1639 ' ' CYS . 82.5 m -70.94 142.06 51.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 79.9 p -62.96 -36.34 83.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 51.3 m -81.69 -5.54 58.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.515 ' HB2' ' HB2' ' A' 1636 ' ' CYS . 42.7 t -93.75 4.62 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.421 ' OE1' ' HB ' ' A' 1634 ' ' THR . 28.8 mt-30 -115.26 -1.83 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -64.42 -22.31 66.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.028 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 68.7 t80 -98.08 -30.45 12.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' 1631 ' ' PRO . 92.7 mt -88.93 8.8 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -90.62 -28.98 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.634 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -82.18 -34.44 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.537 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.421 HD12 HD21 ' A' 1643 ' ' LEU . 96.8 mt -62.8 -32.05 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.43 -44.78 95.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.465 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.63 -38.82 80.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.498 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.425 ' O ' HG22 ' A' 1653 ' ' ILE . 85.4 t80 -63.7 -29.41 70.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.655 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.22 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -70.07 -15.99 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.115 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.627 ' HA ' HD22 ' A' 1656 ' ' ASN . 11.9 t70 -65.11 -71.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.796 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.535 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 4.9 tp -60.05 -30.67 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.12 -34.59 78.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.6 tt -109.36 -77.42 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.018 0.437 . . . . 0.0 110.967 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.627 HD22 ' HA ' ' A' 1652 ' ' ASP . 5.1 p30 -81.48 37.75 0.47 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.322 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -56.27 118.1 10.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.573 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1658 ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 42.7 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 46.3 t -143.79 -7.1 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -94.99 114.77 26.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.0 tpt -122.31 -29.34 4.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 67.5 -0.67 1.81 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.415 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.697 ' HB2' ' HG2' ' A' 1516 ' ' GLN . 3.9 p-10 -174.14 84.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.111 0.481 . . . . 0.0 111.029 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.746 ' H ' ' H ' ' A' 1589 ' ' THR . 3.9 m -81.47 -18.04 46.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.007 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . -124.37 -42.83 0.34 Allowed Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.388 -0.824 . . . . 0.0 113.202 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.86 ' H ' ' HA ' ' A' 1589 ' ' THR . 47.7 mt-30 66.72 153.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.915 0.388 . . . . 0.0 111.095 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.678 ' HE3' HG23 ' A' 1627 ' ' ILE . 9.2 mmt -73.21 -176.72 2.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.034 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -108.25 170.54 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.63 132.21 51.59 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.98 116.1 28.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 93.0 mt 59.48 97.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 9.9 t70 -160.34 112.2 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.683 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.05 99.69 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1524 ' ' THR . . . . . 0.443 HG21 HG13 ' A' 1525 ' ' ILE . 9.0 t -175.07 -29.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.009 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.443 HG13 HG21 ' A' 1524 ' ' THR . 59.6 mt -89.05 106.5 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.03 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 50.7 m -76.35 -178.92 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.71 -26.21 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.2 mt-10 -94.09 -22.62 18.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.5 m -57.69 -59.87 4.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.578 HH12 ' HG2' ' A' 1628 ' ' GLU . 16.5 ptp180 -71.19 -24.43 62.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.568 ' HD2' ' HB1' ' A' 1534 ' ' ALA . 23.9 tptm -63.73 -24.83 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.785 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.5 mm-40 -55.49 -24.8 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.297 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.683 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 94.8 m -83.14 -41.35 18.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.809 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' 1531 ' ' LYS . . . -69.66 -15.09 63.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 1.7 m -87.29 -19.7 27.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.0 mtmt -63.43 145.27 97.3 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.29 -1.49 9.72 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.612 2.208 . . . . 0.0 112.381 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' 1604 ' ' LYS . 11.4 pt-20 -87.35 -36.98 17.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.64 HD13 ' HA2' ' A' 1603 ' ' GLY . 43.6 mm -78.85 124.36 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.434 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -92.81 -64.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.593 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.444 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 2.1 p90 -100.08 163.48 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.294 0.569 . . . . 0.0 112.044 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.83 97.6 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.725 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.549 ' HA ' ' HD1' ' A' 1567 ' ' TYR . 7.1 p90 -142.08 178.71 7.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.064 0.459 . . . . 0.0 111.751 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -124.18 124.84 43.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.163 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.746 HG13 ' HA ' ' A' 1563 ' ' LEU . 8.9 m -119.27 -174.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.0 0.429 . . . . 0.0 111.729 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.423 ' CB ' HD11 ' A' 1564 ' ' LEU . 16.1 t -144.84 125.95 14.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.558 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.517 HG13 ' HB3' ' A' 1593 ' ' LEU . 42.4 mm -64.38 148.29 11.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1548 ' ' THR . . . . . 0.488 ' HG1' ' HA ' ' A' 1561 ' ' ALA . 73.6 p -135.31 -50.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.56 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.786 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 33.6 t -127.85 165.55 19.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.989 0.423 . . . . 0.0 111.329 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.8 mt -132.24 131.44 60.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 68.4 m -119.61 126.81 52.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.301 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.664 HG21 HG22 ' A' 1557 ' ' VAL . 9.6 p -139.33 138.86 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.33 -71.23 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.003 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1554 ' ' ASN . . . . . 0.408 ' OD1' HG22 ' A' 1555 ' ' VAL . 5.4 p30 -149.6 -52.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.408 HG22 ' OD1' ' A' 1554 ' ' ASN . 91.4 t -118.05 -55.38 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -77.07 113.46 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.664 HG22 HG21 ' A' 1552 ' ' VAL . 59.4 t -108.98 110.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.509 ' N ' ' HD3' ' A' 1558 ' ' LYS . 3.8 mppt? -97.59 166.27 11.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -140.52 122.18 15.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.786 ' HB3' ' HB3' ' A' 1549 ' ' SER . 16.4 tppt? -84.8 135.35 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.488 ' HA ' ' HG1' ' A' 1548 ' ' THR . . . -159.17 163.98 35.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 111.389 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.7 m -117.06 131.99 56.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.957 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.746 ' HA ' HG13 ' A' 1545 ' ' VAL . 14.6 tp -69.54 136.75 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.516 ' H ' HD13 ' A' 1563 ' ' LEU . 9.9 mp -93.44 -51.33 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.648 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.507 ' O ' HD11 ' A' 1563 ' ' LEU . 8.5 m-20 -148.67 153.56 38.44 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' 1543 ' ' TYR . 9.9 mm -105.98 117.73 52.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.569 ' HB3' HG23 ' A' 1653 ' ' ILE . 55.0 m-85 -97.94 -19.63 17.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.308 0.575 . . . . 0.0 109.706 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.434 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.7 tmtt? -155.03 109.92 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.389 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 30.0 m -44.35 142.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.156 0.503 . . . . 0.0 112.034 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.644 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -106.18 148.91 16.55 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.291 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.438 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 13.7 mm-40 -75.05 -0.3 18.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -114.35 67.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.833 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' 1573 ' ' VAL . 8.0 p 39.42 41.43 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.654 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.644 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -74.48 129.34 37.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.974 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.541 ' HB3' ' OG ' ' A' 1578 ' ' SER . 9.8 tp10 -151.1 147.06 26.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.546 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -55.39 131.85 46.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.638 ' HA ' ' O ' ' A' 1563 ' ' LEU . 15.3 t70 65.53 34.76 7.67 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.421 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.541 ' OG ' ' HB3' ' A' 1575 ' ' GLU . 34.1 m -92.61 -176.5 4.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.483 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.68 137.14 37.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.63 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.403 ' CG1' ' N ' ' A' 1581 ' ' THR . 0.9 OUTLIER -143.33 153.75 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.164 0.507 . . . . 0.0 111.411 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1581 ' ' THR . . . . . 0.403 ' N ' ' CG1' ' A' 1580 ' ' ILE . 61.5 m -152.74 118.61 5.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.924 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.416 ' HZ ' HG13 ' A' 1601 ' ' ILE . 89.8 m-85 -80.59 167.41 20.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.613 HG21 ' HA ' ' A' 1620 ' ' PRO . 5.0 tt -158.11 117.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.795 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.719 ' HE3' ' HA ' ' A' 1586 ' ' VAL . 39.3 ttpt -120.9 153.72 36.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.219 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.475 ' O ' HG13 ' A' 1586 ' ' VAL . 97.3 mttt -92.97 20.57 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.507 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1586 ' ' VAL . . . . . 0.719 ' HA ' ' HE3' ' A' 1584 ' ' LYS . 6.7 p 44.14 24.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.764 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 63.8 p -139.07 -3.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.338 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 1.2 m -133.53 141.71 47.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.959 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1589 ' ' THR . . . . . 0.86 ' HA ' ' H ' ' A' 1516 ' ' GLN . 73.8 m 50.34 93.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.614 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.667 ' HB2' ' HB3' ' A' 1513 ' ' ASP . 2.3 t-20 -61.92 85.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.282 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.648 ' HB2' HD21 ' A' 1621 ' ' LEU . . . -113.92 137.19 52.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.42 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -127.7 98.24 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.564 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.517 ' HB3' HG13 ' A' 1547 ' ' ILE . 85.0 mt -84.28 122.84 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 61.9 t -107.04 126.21 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 21.8 pttp -62.99 135.56 57.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 102.9 -18.52 49.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.628 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.506 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 91.2 mtt180 -99.65 169.96 8.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.004 0.431 . . . . 0.0 111.401 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -116.53 143.16 45.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.718 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -139.9 152.79 46.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.907 0.384 . . . . 0.0 111.214 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 61.3 tp -94.56 135.1 36.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.257 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.416 HG13 ' HZ ' ' A' 1582 ' ' PHE . 49.5 mm -128.89 124.87 61.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.961 0.41 . . . . 0.0 111.886 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1602 ' ' MET . . . . . . . . . . . . . 31.8 mtm -141.38 117.98 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.109 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.64 ' HA2' HD13 ' A' 1539 ' ' ILE . . . -170.72 177.12 43.97 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.272 -0.966 . . . . 0.0 113.142 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.55 ' HZ1' ' HG2' ' A' 1620 ' ' PRO . 0.0 OUTLIER -59.37 177.22 0.2 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.863 0.364 . . . . 0.0 111.489 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.438 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.3 pt-20 -60.15 173.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.424 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -103.18 155.84 18.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.244 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' 1617 ' ' TYR . 4.1 mm? -65.35 113.75 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.509 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.459 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 45.5 mt-30 -81.9 30.24 0.38 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.443 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.469 ' C ' HD12 ' A' 1609 ' ' ILE . 0.0 OUTLIER -175.24 113.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.062 0.458 . . . . 0.0 111.22 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.689 ' HD3' HD12 ' A' 1618 ' ' ILE . 23.5 tptm -101.58 -23.95 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.67 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1611 ' ' TYR . . . . . 0.531 ' HD2' ' H ' ' A' 1613 ' ' ALA . 66.7 t80 -161.17 -90.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1612 ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' 1611 ' ' TYR . 6.9 t30 177.14 -30.69 0.0 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1613 ' ' ALA . . . . . 0.531 ' H ' ' HD2' ' A' 1611 ' ' TYR . . . -52.72 -30.82 34.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.461 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 80.5 p -171.16 1.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.095 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1615 ' ' PHE . . . . . . . . . . . . . 59.7 m-85 61.45 171.81 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.615 ' HG2' HG23 ' A' 1618 ' ' ILE . 55.7 ttt180 -164.79 128.07 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.493 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.571 ' HA ' ' O ' ' A' 1607 ' ' LEU . 1.9 m-30 -96.22 31.84 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.558 -179.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.689 HD12 ' HD3' ' A' 1610 ' ' LYS . 5.6 pt -56.82 145.05 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 111.145 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 20.3 m-85 -97.75 125.89 42.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.719 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1620 ' ' PRO . . . . . 0.613 ' HA ' HG21 ' A' 1583 ' ' ILE . 28.3 Cg_endo -62.24 -168.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.571 2.18 . . . . 0.0 112.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.672 HD22 ' HD3' ' A' 1584 ' ' LYS . 16.4 tp -153.48 40.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -92.66 -172.38 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1623 ' ' SER . . . . . 0.461 ' HB2' ' C ' ' A' 1514 ' ' CYS . 48.2 t -69.98 77.09 0.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.216 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 62.8 tp -175.24 -26.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.359 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 46.5 m -78.81 101.41 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.154 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -66.88 112.77 4.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.678 HG23 ' HE3' ' A' 1517 ' ' MET . 57.7 mt -119.83 135.03 61.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.646 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 10.4 tp10 -132.35 111.94 11.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.506 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 24.6 t80 -57.17 114.73 2.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -100.42 103.36 23.08 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.094 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.512 ' HB2' HD21 ' A' 1643 ' ' LEU . 80.4 Cg_exo -45.29 102.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.674 2.249 . . . . 0.0 112.59 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1632 ' ' ARG . . . . . 0.419 ' O ' ' HD3' ' A' 1632 ' ' ARG . 4.4 tmt_? -53.66 -42.17 67.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1633 ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' 1636 ' ' CYS . 9.6 m-20 -89.27 110.7 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.743 HG23 HD12 ' A' 1643 ' ' LEU . 63.8 p -95.44 -48.0 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 72.2 p -85.91 20.43 2.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.19 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' 1633 ' ' ASP . 51.5 t -55.65 -46.48 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 72.7 p -164.81 -63.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.4 p -167.01 25.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 83.7 m -82.31 26.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.595 ' HA ' HD13 ' A' 1643 ' ' LEU . 28.2 mt-30 -89.57 2.44 54.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.33 94.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.967 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -84.93 -23.01 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.532 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.743 HD12 HG23 ' A' 1634 ' ' THR . 47.8 mt -73.89 -11.73 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -80.45 -32.99 37.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.021 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.05 -25.31 55.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 85.8 mt -74.87 -31.34 61.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.5 -30.89 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.5 -47.65 69.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.765 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.426 ' O ' HG22 ' A' 1653 ' ' ILE . 81.6 t80 -55.55 -28.25 53.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.787 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.46 92.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -87.33 -7.24 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.023 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.732 ' HA ' HD21 ' A' 1656 ' ' ASN . 1.4 m-20 -84.59 -71.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.042 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.569 HG23 ' HB3' ' A' 1567 ' ' TYR . 8.9 tp -53.98 -25.66 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.189 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 76.8 t80 -78.84 -57.13 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' 1655 ' ' LEU . 3.2 tm? -84.01 -65.84 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.732 HD21 ' HA ' ' A' 1652 ' ' ASP . 34.2 m-80 -58.18 -74.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.217 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 87.36 -168.17 38.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.413 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.888 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 53.4 m -92.88 138.46 31.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 46.3 t60 -96.65 128.52 43.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.779 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 52.2 ttm -108.28 120.13 41.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.003 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -133.39 141.25 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -66.07 -33.64 76.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.201 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' 1516 ' ' GLN . 7.4 t 60.13 -152.63 0.39 Allowed 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' A' 1517 ' ' MET . . . -55.8 83.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.774 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' 1514 ' ' CYS . 25.0 mt-30 -47.74 -25.21 1.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.368 0.267 . . . . 0.0 111.541 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.472 ' HE2' ' HB1' ' A' 1591 ' ' ALA . 22.8 mmt 59.05 -174.23 0.1 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.077 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1518 ' ' GLN . . . . . 0.427 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 11.8 pt20 -151.56 173.36 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.9 144.33 53.19 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.992 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.43 -16.77 64.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 68.5 mt -149.7 102.46 3.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.49 ' OD1' HG13 ' A' 1525 ' ' ILE . 11.2 t70 -129.47 122.63 29.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.672 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 42.2 mt -109.57 14.14 23.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.028 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 70.0 p -92.45 -20.06 21.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.49 HG13 ' OD1' ' A' 1522 ' ' ASP . 85.6 mt -83.87 138.18 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 43.9 t -85.67 169.45 13.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -75.8 -16.22 60.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -93.32 -19.64 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.2 m -74.41 -30.02 61.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.581 HH12 ' HA ' ' A' 1646 ' ' LEU . 4.7 ptm180 -95.08 -12.99 25.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.538 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.2 tmtp? -97.05 -33.36 11.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.806 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.64 -16.73 28.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.974 0.416 . . . . 0.0 110.476 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.684 HG23 HG13 ' A' 1539 ' ' ILE . 48.4 m -91.34 -23.27 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.55 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.07 91.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.14 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1535 ' ' CYS . . . . . 0.469 ' HA ' ' HZ2' ' A' 1568 ' ' LYS . 48.9 t -85.25 0.55 51.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.982 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.471 ' HE3' ' HA ' ' A' 1533 ' ' THR . 40.6 ttmt -61.82 133.73 93.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.48 -43.25 60.53 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.583 2.188 . . . . 0.0 112.214 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.642 ' HG3' ' HE3' ' A' 1604 ' ' LYS . 35.3 tt0 -61.0 -27.67 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.75 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.684 HG13 HG23 ' A' 1533 ' ' THR . 37.2 mm -93.52 110.52 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.037 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -74.47 -64.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.415 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.858 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.1 p90 -105.32 156.62 17.98 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.163 0.506 . . . . 0.0 111.74 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -145.12 97.67 3.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.326 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.741 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 11.6 p90 -153.78 173.66 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 111.858 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.644 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 21.3 pttp -110.81 150.75 28.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.894 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.831 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.7 m -141.46 -175.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.906 0.384 . . . . 0.0 111.599 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.404 ' HB3' HD13 ' A' 1564 ' ' LEU . 78.9 p -145.98 114.91 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.982 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.488 HD12 ' HB1' ' A' 1561 ' ' ALA . 44.3 mm -56.09 144.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.698 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1548 ' ' THR . . . . . 0.588 HG23 ' HA ' ' A' 1561 ' ' ALA . 4.8 t -138.14 -8.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.625 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.852 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 36.8 t -165.24 157.09 15.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.985 0.421 . . . . 0.0 111.426 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.6 mt -137.78 133.86 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.671 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1551 ' ' THR . . . . . 0.726 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 97.3 m -121.67 133.54 54.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 111.484 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 37.3 t -127.64 122.25 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.407 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.45 -86.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.273 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 15.6 m120 -134.36 -79.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.32 . . . . 0.0 111.218 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 86.8 t -93.75 -42.49 13.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -94.41 144.4 25.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.1 t -117.42 119.14 60.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.726 ' HB2' ' HB ' ' A' 1551 ' ' THR . 3.9 mptp? -85.73 158.11 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -144.48 119.11 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.852 ' HB2' ' HB3' ' A' 1549 ' ' SER . 35.3 mmtp -100.03 121.07 40.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.396 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.588 ' HA ' HG23 ' A' 1548 ' ' THR . . . -138.58 164.29 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.012 0.434 . . . . 0.0 111.673 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -112.92 131.11 55.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.735 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.831 ' HA ' HG12 ' A' 1545 ' ' VAL . 1.8 tt -66.38 134.24 52.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.644 ' HB2' ' HG3' ' A' 1544 ' ' LYS . 74.1 mt -90.12 -49.78 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.712 0.292 . . . . 0.0 110.824 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.8 t70 -166.98 138.46 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.741 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 65.6 mt -95.24 132.33 39.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.144 0.497 . . . . 0.0 112.063 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' 1542 ' ' ALA . 28.5 m-85 -107.33 -18.34 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.196 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.469 ' HZ2' ' HA ' ' A' 1535 ' ' CYS . 87.0 tttt -154.27 117.44 4.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.735 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1569 ' ' THR . . . . . 0.59 HG22 ' H ' ' A' 1571 ' ' GLU . 12.2 m -46.81 153.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.066 0.46 . . . . 0.0 111.616 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.858 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -84.98 -3.02 88.13 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.998 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.59 ' H ' HG22 ' A' 1569 ' ' THR . 37.2 tt0 59.55 10.24 1.84 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.14 0.495 . . . . 0.0 110.628 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -131.93 -77.21 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.335 0.588 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.462 ' O ' HG22 ' A' 1573 ' ' VAL . 9.3 p -151.7 37.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.014 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.721 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -83.12 116.36 22.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.919 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.409 ' O ' HD13 ' A' 1563 ' ' LEU . 45.7 mt-10 -129.83 137.01 50.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.663 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -51.93 122.46 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.693 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.0 t70 66.17 42.38 3.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 46.4 p -90.15 -168.0 2.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.562 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -111.88 104.88 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.526 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.656 HD12 ' HE1' ' A' 1582 ' ' PHE . 28.9 pt -100.96 148.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.52 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.5 m -140.32 100.42 3.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.653 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.656 ' HE1' HD12 ' A' 1580 ' ' ILE . 60.2 m-85 -94.33 136.2 34.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.309 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.691 HG22 ' HG3' ' A' 1558 ' ' LYS . 44.7 pt -123.95 146.15 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.891 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.785 ' HB3' HD22 ' A' 1621 ' ' LEU . 58.3 pttt -139.46 -169.69 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -101.72 -174.84 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.821 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.0 p -85.58 -29.12 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.3 p -82.3 6.64 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.99 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 25.7 t -90.93 31.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.682 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 7.3 t -54.98 -25.54 30.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.446 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 22.0 m120 -59.61 -55.62 32.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.914 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.472 ' HB1' ' HE2' ' A' 1517 ' ' MET . . . -67.57 102.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.731 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -107.17 146.26 31.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.192 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.6 mt -134.15 168.83 18.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.73 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.468 ' HB ' ' HB2' ' A' 1597 ' ' ARG . 49.0 t -133.29 130.89 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -68.72 107.28 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.688 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 106.03 6.99 36.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.323 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.634 ' HE ' ' HA ' ' A' 1597 ' ' ARG . 2.5 tpm_? -100.96 158.95 15.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.72 0.295 . . . . 0.0 110.653 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' 1597 ' ' ARG . 25.3 mt-30 -103.09 133.16 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -140.03 144.4 36.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.565 HD23 HH21 ' A' 1530 ' ' ARG . 61.2 tp -89.34 122.55 32.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.3 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.495 HG23 ' HE1' ' A' 1541 ' ' TYR . 77.3 mt -115.54 127.3 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.096 0.474 . . . . 0.0 111.549 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.488 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 60.1 mtp -144.52 118.27 9.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.194 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.568 ' N ' HG22 ' A' 1539 ' ' ILE . . . 174.57 -162.16 32.2 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.068 -1.063 . . . . 0.0 113.547 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.642 ' HE3' ' HG3' ' A' 1538 ' ' GLU . 35.0 mmtp -49.58 148.61 2.78 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.75 0.31 . . . . 0.0 111.317 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.41 -174.49 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.191 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -76.61 153.32 35.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.439 HD11 HG13 ' A' 1618 ' ' ILE . 93.2 mt -67.89 -170.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.791 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.46 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 54.7 mt-30 -151.16 93.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.272 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' 1616 ' ' ARG . 1.4 mm -84.97 -40.08 14.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.181 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.781 ' HA ' ' H ' ' A' 1615 ' ' PHE . 0.1 OUTLIER 42.5 -173.21 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.312 179.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -169.75 -54.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.291 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -133.31 -16.79 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.103 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -168.96 -38.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.505 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.1 p -175.33 112.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.621 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.781 ' H ' ' HA ' ' A' 1610 ' ' LYS . 76.3 t80 -96.65 -80.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.95 0.405 . . . . 0.0 111.012 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.543 ' O ' HG12 ' A' 1609 ' ' ILE . 30.8 tpt180 -144.78 146.59 32.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.316 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.46 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 16.5 m-85 -121.56 70.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.407 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.439 HG13 HD11 ' A' 1607 ' ' LEU . 37.5 pt -66.73 -178.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.279 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.452 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 68.4 m-85 -128.62 134.84 26.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.991 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.87 171.81 16.68 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.588 2.192 . . . . 0.0 112.29 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.785 HD22 ' HB3' ' A' 1584 ' ' LYS . 52.1 tp -150.63 104.59 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.788 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.484 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 10.6 m-20 -137.7 -160.14 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 47.9 t -74.71 -34.77 62.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.558 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.8 pt? -67.11 -15.58 63.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.28 . . . . 0.0 110.964 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 55.6 m -71.23 112.81 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.488 ' HB3' ' HB2' ' A' 1602 ' ' MET . 50.1 t-105 -74.98 109.77 8.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' 1600 ' ' LEU . 62.9 mt -123.92 123.2 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.427 ' HG3' ' OE1' ' A' 1518 ' ' GLN . 41.0 tt0 -125.84 149.19 48.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.031 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.474 ' O ' ' HD3' ' A' 1631 ' ' PRO . 38.8 t80 -80.71 130.07 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -108.88 92.13 10.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.471 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.766 ' HB2' HD23 ' A' 1643 ' ' LEU . 50.4 Cg_exo -53.76 102.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.589 2.193 . . . . 0.0 112.408 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -74.71 -23.27 58.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.695 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -89.03 137.16 32.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 65.8 p -141.39 8.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 80.2 p -101.2 11.07 40.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.263 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 44.3 t -105.77 158.02 17.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 46.4 t -61.88 123.23 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 83.8 p 47.64 72.02 0.29 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.293 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 78.1 m -148.58 -17.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.761 ' HA ' HD21 ' A' 1643 ' ' LEU . 19.5 pm0 -96.46 -0.14 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -66.16 -26.44 67.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.555 ' O ' HD13 ' A' 1646 ' ' LEU . 56.2 t80 -76.22 -31.39 58.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.809 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.766 HD23 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -74.15 -0.45 16.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.13 -54.78 4.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.7 p30 -62.7 -15.61 53.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.698 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.581 ' HA ' HH12 ' A' 1530 ' ' ARG . 8.6 mp -77.02 -32.16 56.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.609 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.96 -39.04 93.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1648 ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' 1652 ' ' ASP . 1.3 mp0 -74.52 -1.1 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 47.9 t80 -103.44 -30.77 10.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.803 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1650 ' ' ALA . . . . . 0.6 ' O ' HG22 ' A' 1653 ' ' ILE . . . -59.41 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.31 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1651 ' ' GLU . . . . . 0.616 ' HA ' ' HD2' ' A' 1654 ' ' PHE . 28.7 tt0 -60.75 -4.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.312 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' 1648 ' ' GLU . 22.6 t70 -74.47 -6.78 50.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.454 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' 1650 ' ' ALA . 6.6 tt -114.33 -42.34 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1654 ' ' PHE . . . . . 0.616 ' HD2' ' HA ' ' A' 1651 ' ' GLU . 9.5 m-85 -68.18 -44.8 75.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.937 0.399 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.407 HD22 ' OE1' ' A' 1651 ' ' GLU . 1.4 tp -75.89 -46.1 31.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.026 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' 1652 ' ' ASP . 44.0 m-80 -75.3 -72.1 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.88 108.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.883 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.7 t -141.56 140.47 33.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 16.6 p80 -97.59 149.34 22.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 55.9 ttp -91.25 156.52 17.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.789 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -113.37 174.05 6.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -97.22 39.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.63 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 35.2 t -50.17 110.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.801 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.458 ' HA3' ' HB3' ' A' 1591 ' ' ALA . . . 80.24 38.91 16.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.105 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -51.93 103.4 0.06 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.837 0.351 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 25.2 mmt -71.63 151.67 43.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1518 ' ' GLN . . . . . 0.471 ' HG3' ' HG2' ' A' 1628 ' ' GLU . 15.7 mm100 -79.92 167.89 19.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.582 ' HB2' ' HB3' ' A' 1522 ' ' ASP . 45.8 mt-10 -66.65 171.33 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -103.02 128.04 50.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' 1642 ' ' PHE . 76.0 mt 57.73 21.98 7.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.582 ' HB3' ' HB2' ' A' 1519 ' ' GLU . 5.4 p-10 -57.97 104.99 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.737 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 67.5 mt -91.13 97.33 11.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1524 ' ' THR . . . . . 0.443 HG22 HG13 ' A' 1525 ' ' ILE . 6.9 t -172.97 -24.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.443 HG13 HG22 ' A' 1524 ' ' THR . 60.0 mt -94.67 122.15 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 85.8 p -86.49 -175.75 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.795 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -81.93 0.45 39.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -119.56 -12.57 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 86.7 m -84.37 -36.27 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.438 ' HB3' HG21 ' A' 1525 ' ' ILE . 5.5 ptp180 -86.94 -24.61 24.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.021 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.598 ' HE3' HD12 ' A' 1653 ' ' ILE . 88.1 tttt -68.64 -22.48 64.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -55.6 -22.06 20.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.03 0.443 . . . . 0.0 110.326 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.722 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 48.2 m -91.03 -30.11 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.516 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.68 71.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 32.8 t -102.98 5.19 38.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.755 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.722 ' HE3' ' HA ' ' A' 1533 ' ' THR . 38.0 ttmt -61.18 137.48 94.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.739 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.22 -52.56 8.53 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.676 2.251 . . . . 0.0 112.865 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.434 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.7 pt-20 -59.6 -28.62 67.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.055 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.602 HD13 ' HA2' ' A' 1603 ' ' GLY . 45.3 mm -84.71 144.36 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.42 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -114.82 -67.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.694 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.897 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.0 p90 -93.13 157.82 16.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.29 0.567 . . . . 0.0 112.186 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.84 99.95 2.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.468 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.648 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.5 OUTLIER -152.38 179.46 8.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.046 0.451 . . . . 0.0 112.089 -178.723 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.635 ' NZ ' ' HB3' ' A' 1564 ' ' LEU . 22.8 pttp -115.97 141.23 48.39 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.751 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' 1563 ' ' LEU . 10.6 m -138.88 177.14 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.293 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.434 ' CB ' HD11 ' A' 1564 ' ' LEU . 18.2 t -146.1 129.91 17.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.577 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.2 mm -67.52 131.0 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.788 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1548 ' ' THR . . . . . 0.472 ' O ' ' HE2' ' A' 1595 ' ' LYS . 5.4 t -132.95 -10.66 3.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.548 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.833 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 56.3 m -150.11 138.71 20.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.3 mt -135.46 117.65 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 93.2 m -103.53 103.38 13.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.269 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.2 p -105.69 126.79 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.72 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -114.82 -67.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -166.33 -62.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.492 HG11 HG13 ' A' 1586 ' ' VAL . 4.9 m -107.57 -49.21 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.416 ' N ' HG22 ' A' 1555 ' ' VAL . 10.5 m-85 -95.43 113.21 24.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.636 HG11 ' HB3' ' A' 1584 ' ' LYS . 7.1 p -114.6 140.39 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.738 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 31.1 mttp -120.39 159.92 24.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.094 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.586 ' HE1' ' HE2' ' A' 1584 ' ' LYS . 89.8 m-85 -134.6 109.1 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.833 ' HB2' ' HB2' ' A' 1549 ' ' SER . 3.2 mmmp? -88.27 98.77 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.226 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.577 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -105.76 169.68 8.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 111.663 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 7.2 m -115.59 129.68 56.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.997 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.894 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.9 tp -73.2 95.27 2.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.635 ' HB3' ' NZ ' ' A' 1544 ' ' LYS . 9.0 mp -49.81 -50.88 43.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.578 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.6 t70 -166.25 152.52 9.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.765 HG12 HD22 ' A' 1563 ' ' LEU . 55.0 mt -99.5 123.08 52.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.942 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.536 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 84.0 m-85 -99.87 -20.73 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' 1569 ' ' THR . 2.7 tmtp? -154.66 123.13 6.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.303 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1569 ' ' THR . . . . . 0.47 HG22 ' H ' ' A' 1571 ' ' GLU . 4.6 m -46.11 155.73 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.202 0.525 . . . . 0.0 111.897 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.897 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -93.2 0.69 69.11 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.014 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.47 ' H ' HG22 ' A' 1569 ' ' THR . 44.2 mt-10 58.04 8.54 0.77 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.035 0.445 . . . . 0.0 110.7 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.419 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -152.38 71.22 0.94 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.224 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 94.1 t 56.33 80.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.412 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.504 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -108.9 125.06 51.61 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.09 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.485 ' O ' HD23 ' A' 1563 ' ' LEU . 41.0 mt-10 -135.06 146.35 48.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.915 0.388 . . . . 0.0 111.352 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.63 144.21 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.043 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.623 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.4 p30 46.93 32.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 61.2 p -70.61 -165.97 0.13 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -120.13 136.02 54.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.421 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.603 HD13 ' HE1' ' A' 1582 ' ' PHE . 20.8 pt -139.23 145.09 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 111.723 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 16.3 m -125.48 138.06 53.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.647 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.603 ' HE1' HD13 ' A' 1580 ' ' ILE . 48.5 m-85 -123.91 120.48 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.337 0.589 . . . . 0.0 111.504 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1583 ' ' ILE . . . . . . . . . . . . . 15.6 mm -89.31 152.49 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.703 ' HB2' HD13 ' A' 1621 ' ' LEU . 10.9 ttmm -146.45 146.42 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.445 ' N ' ' HG2' ' A' 1584 ' ' LYS . 30.7 mmtp -100.2 179.19 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.705 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1586 ' ' VAL . . . . . 0.492 HG13 HG11 ' A' 1555 ' ' VAL . 22.3 m -74.43 -22.01 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.276 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.6 p -72.55 -37.99 68.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.279 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.63 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.7 m -67.93 86.54 0.24 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.807 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 57.1 m -100.13 -33.17 10.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.99 -20.5 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.662 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.458 ' HB3' ' HA3' ' A' 1515 ' ' GLY . . . -90.84 126.64 36.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.73 137.1 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.482 HD23 HD12 ' A' 1547 ' ' ILE . 1.8 mp -120.91 169.97 9.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 62.1 t -123.81 140.5 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.9 tttm -75.61 110.14 9.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 123.92 -35.73 3.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.626 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -74.22 167.63 21.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.06 0.457 . . . . 0.0 111.285 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.14 144.37 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.741 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -141.19 142.23 34.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.299 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' 1627 ' ' ILE . 48.4 tp -87.67 133.16 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.072 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1601 ' ' ILE . . . . . . . . . . . . . 70.8 mt -130.85 130.77 64.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.09 0.471 . . . . 0.0 112.063 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.511 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 30.6 mtm -145.21 129.25 17.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.867 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.602 ' HA2' HD13 ' A' 1539 ' ' ILE . . . -179.06 175.31 47.19 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.154 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.606 ' HZ3' HD21 ' A' 1624 ' ' LEU . 0.0 OUTLIER -52.61 164.96 0.3 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 111.435 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -59.08 154.01 16.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.45 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -60.75 169.08 1.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.502 HD12 HG13 ' A' 1618 ' ' ILE . 7.5 mp -61.86 -177.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -157.7 93.42 1.27 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.399 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.687 HG21 ' HE ' ' A' 1616 ' ' ARG . 11.1 tp -88.86 -29.05 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.327 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.474 ' HB2' ' HA ' ' A' 1615 ' ' PHE . 34.6 mmtp -145.51 -175.94 4.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -91.96 -70.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1612 ' ' ASN . . . . . 0.437 ' HA ' ' CD1' ' A' 1615 ' ' PHE . 88.4 m-20 -140.65 -34.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.04 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -55.4 -33.01 63.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.644 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1614 ' ' SER . . . . . 0.463 ' HB2' ' HG3' ' A' 1610 ' ' LYS . 69.3 m -160.57 33.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.362 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.474 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 20.2 p90 -58.63 137.2 57.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.687 ' HE ' HG21 ' A' 1609 ' ' ILE . 82.5 mtm180 -130.24 83.02 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.998 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -79.6 76.77 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.75 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.502 HG13 HD12 ' A' 1607 ' ' LEU . 42.2 pt -89.7 173.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.789 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' 1582 ' ' PHE . 50.6 m-85 -128.65 131.06 23.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.424 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.14 179.31 6.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.562 2.175 . . . . 0.0 112.135 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.703 HD13 ' HB2' ' A' 1584 ' ' LYS . 32.7 mt -133.24 23.65 4.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -175.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.1 p -71.83 -20.0 61.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.606 HD21 ' HZ3' ' A' 1604 ' ' LYS . 3.5 tt -63.52 -49.05 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.56 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 44.0 m -53.57 101.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.472 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -62.92 105.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.544 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.7 mt -124.09 136.59 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.351 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.471 ' HG2' ' HG3' ' A' 1518 ' ' GLN . 46.9 mt-10 -135.44 155.89 49.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.456 ' O ' ' HD3' ' A' 1631 ' ' PRO . 13.2 t80 -86.35 115.81 24.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.442 ' CD2' HD13 ' A' 1646 ' ' LEU . 3.1 t-105 -98.82 103.31 18.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.131 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.58 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 63.6 Cg_exo -51.07 99.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.455 2.103 . . . . 0.0 112.314 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.99 -24.36 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.01 128.01 55.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.822 HG23 ' HG ' ' A' 1643 ' ' LEU . 82.5 p -93.86 -23.58 18.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' 1634 ' ' THR . 6.8 p 72.15 -37.31 0.39 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.125 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' A' 1639 ' ' CYS . 73.6 m -143.82 177.75 8.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 111.036 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 49.9 m -110.29 -25.53 10.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.697 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 49.0 m -96.12 -26.64 15.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' 1636 ' ' CYS . 53.5 t -128.78 127.94 42.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.837 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 6.3 mm100 -114.53 -108.39 0.37 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.834 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1641 ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' 1640 ' ' GLN . . . 165.91 -75.54 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.58 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 43.9 t80 -108.45 -6.74 16.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.837 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.9 mm? -77.18 -6.23 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.085 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -78.98 -39.39 34.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.289 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -86.05 -7.18 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.551 HD11 HD11 ' A' 1643 ' ' LEU . 94.7 mt -93.65 -30.34 14.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.75 -44.45 64.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.79 -39.03 87.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' 1653 ' ' ILE . 88.7 t80 -65.75 -22.66 66.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -72.18 -59.05 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.369 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.07 -31.99 72.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.398 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.26 -65.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.585 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.598 HD12 ' HE3' ' A' 1531 ' ' LYS . 7.9 tp -61.46 -32.56 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.787 0.327 . . . . 0.0 111.594 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 45.8 t80 -71.55 -36.55 70.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.402 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 95.4 mt -97.66 -69.71 0.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.316 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.687 ' N ' HD21 ' A' 1656 ' ' ASN . 0.7 OUTLIER -59.06 -71.03 0.13 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.106 -179.513 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.51 ' HA2' HD13 ' A' 1653 ' ' ILE . . . 74.05 149.11 1.5 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.898 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.3 t -121.2 -7.58 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.701 0.286 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -147.81 115.05 6.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 25.6 ptt? -135.9 -35.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -145.03 142.21 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.789 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' 1514 ' ' CYS . 4.2 p-10 -86.43 -17.57 33.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.403 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' 1513 ' ' ASP . 4.4 p 38.01 -140.8 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.45 ' O ' ' HG3' ' A' 1517 ' ' MET . . . -66.18 75.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.248 -0.977 . . . . 0.0 111.343 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -49.52 126.96 14.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.719 0.295 . . . . 0.0 111.309 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.658 ' HE3' ' HA ' ' A' 1591 ' ' ALA . 43.9 mtm -132.16 134.9 45.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.844 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1518 ' ' GLN . . . . . 0.408 ' NE2' ' N ' ' A' 1518 ' ' GLN . 1.6 mp0 -65.7 173.84 2.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.85 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 46.6 mt-10 -67.95 -177.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1520 ' ' GLU . . . . . 0.592 ' HA ' ' HB3' ' A' 1629 ' ' TYR . 1.9 mp0 -89.97 -76.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.498 ' O ' ' HG ' ' A' 1523 ' ' LEU . 95.3 mt -85.98 31.45 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.223 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.85 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 19.1 t70 -58.81 106.01 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.784 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' 1521 ' ' LEU . 75.6 mt -104.31 96.04 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.4 t -173.3 -16.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.533 ' HB ' HH21 ' A' 1530 ' ' ARG . 65.3 mt -83.2 137.83 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.8 t -81.71 165.99 20.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -78.7 -17.61 55.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.5 mt-10 -91.99 -50.18 5.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.6 m -57.38 -33.75 68.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.533 HH21 ' HB ' ' A' 1525 ' ' ILE . 41.8 ttm180 -74.64 -26.15 59.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.74 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.519 ' HZ2' HD11 ' A' 1653 ' ' ILE . 9.0 tmtm? -82.4 -31.08 29.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.77 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.0 mt-30 -57.6 -16.51 10.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.639 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 60.5 m -87.61 -35.61 17.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.793 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.629 ' HB2' ' HE2' ' A' 1602 ' ' MET . . . -59.98 -25.83 65.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.08 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.9 t -116.89 5.06 12.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.566 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.784 ' HB3' HD11 ' A' 1539 ' ' ILE . 23.4 ttmm -61.97 141.62 95.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.556 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.54 -48.68 19.3 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.681 2.254 . . . . 0.0 113.025 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.593 ' HG3' HD12 ' A' 1539 ' ' ILE . 3.6 pt-20 -67.86 -5.85 18.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.636 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.855 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.4 mp -113.3 129.35 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.743 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -95.53 -63.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.439 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.497 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 6.1 p90 -102.85 159.8 15.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.007 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.46 93.62 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.689 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.675 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 1.3 p90 -143.16 -177.92 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.062 0.458 . . . . 0.0 112.023 -178.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 53.2 tttm -120.31 131.51 54.91 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.837 HG11 ' HA ' ' A' 1563 ' ' LEU . 13.7 m -129.88 -175.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.272 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.431 ' CB ' HD23 ' A' 1564 ' ' LEU . 22.9 t -151.56 136.13 17.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.556 HD13 ' HB1' ' A' 1561 ' ' ALA . 40.8 mm -72.73 127.21 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.72 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 67.1 p -118.6 -28.84 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.448 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.661 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 41.7 t -141.52 154.95 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.962 0.411 . . . . 0.0 111.263 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 81.9 mt -143.16 116.28 3.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.8 m -108.06 121.95 45.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 26.0 t -112.53 124.36 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -103.58 -79.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -147.79 -72.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 23.2 t -102.49 -40.48 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.57 117.34 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' 1583 ' ' ILE . 45.1 t -101.65 134.44 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.75 ' HG3' HG22 ' A' 1583 ' ' ILE . 3.7 mptp? -98.95 153.02 19.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.774 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' 1593 ' ' LEU . 94.7 m-85 -140.01 113.26 8.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.006 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.661 ' HB2' ' HB3' ' A' 1549 ' ' SER . 35.2 mmtp -94.39 118.37 31.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.462 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.556 ' HB1' HD13 ' A' 1547 ' ' ILE . . . -130.76 149.09 52.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.988 0.423 . . . . 0.0 111.475 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.8 m -99.27 137.74 37.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.117 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.837 ' HA ' HG11 ' A' 1545 ' ' VAL . 12.7 tp -81.06 101.07 9.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.373 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' 1546 ' ' SER . 4.0 mm? -60.39 -43.23 96.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.505 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.531 ' O ' ' HB2' ' A' 1543 ' ' TYR . 13.0 t70 -166.94 158.66 12.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.171 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.744 HG12 HD21 ' A' 1563 ' ' LEU . 54.4 mt -109.92 131.22 61.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.836 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.675 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 93.0 m-85 -106.41 -16.12 14.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.445 ' CB ' ' HB1' ' A' 1542 ' ' ALA . 10.8 tmtt? -158.25 110.28 2.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.359 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 31.8 m -42.23 146.51 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.231 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.723 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -103.82 136.41 12.95 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.498 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.39 -27.56 67.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.534 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.849 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -86.94 44.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.526 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.7 t 57.33 87.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.104 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.723 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -118.39 124.13 46.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.621 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.502 ' O ' HD22 ' A' 1563 ' ' LEU . 24.7 mm-40 -133.63 150.58 51.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.293 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -53.33 122.14 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.624 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 60.24 66.13 1.0 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.139 0.495 . . . . 0.0 110.691 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.633 ' H ' ' HB3' ' A' 1563 ' ' LEU . 41.9 p -109.54 -167.21 1.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.714 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -124.07 117.18 24.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.559 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.705 HD12 HG12 ' A' 1545 ' ' VAL . 12.1 pt -127.39 141.03 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.483 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 15.8 m -115.38 140.4 49.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.971 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.647 ' HD2' ' HB2' ' A' 1621 ' ' LEU . 51.3 m-85 -127.16 121.84 32.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.75 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.8 pt -115.99 143.33 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.4 ' HE2' ' CE2' ' A' 1559 ' ' TYR . 64.3 pttt -151.95 -175.35 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.977 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.7 mptp? -87.05 155.97 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.2 p -85.61 -15.41 10.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 76.3 p -81.2 9.06 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.365 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 11.2 t -63.17 123.99 20.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.581 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 15.1 m -114.95 59.44 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.605 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 3.3 p30 176.99 -31.22 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.253 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.658 ' HA ' ' HE3' ' A' 1517 ' ' MET . . . -105.69 127.59 53.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 111.563 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -144.94 85.43 1.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.584 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.493 HD12 HD12 ' A' 1547 ' ' ILE . 1.3 mm? -55.37 123.08 12.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.674 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 60.1 t -102.35 133.61 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.654 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.1 ttmt -76.25 127.16 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 101.57 0.71 53.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.658 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.674 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 87.8 mtt180 -106.53 164.66 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.952 0.406 . . . . 0.0 111.378 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -112.74 137.13 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.514 ' HH ' ' H ' ' A' 1594 ' ' VAL . 73.9 m-85 -136.59 147.66 47.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.08 0.467 . . . . 0.0 111.393 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 59.3 tp -95.26 124.55 39.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.114 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.479 HG23 ' HE1' ' A' 1541 ' ' TYR . 59.6 mt -112.57 128.97 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.092 0.472 . . . . 0.0 111.807 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.629 ' HE2' ' HB2' ' A' 1534 ' ' ALA . 71.0 mtp -145.54 109.4 4.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.095 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.855 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -177.62 -178.09 46.94 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.364 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' 1605 ' ' GLU . 4.9 tppp? -57.97 161.18 4.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 0.0 111.135 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.849 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.2 pt-20 -66.17 -179.64 0.8 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.964 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -99.25 164.29 12.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.532 HD22 ' N ' ' A' 1607 ' ' LEU . 1.5 pt? -130.26 139.7 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.831 ' HB3' ' HD1' ' A' 1617 ' ' TYR . 56.9 tp60 -167.57 -94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.039 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.72 ' HA ' ' H ' ' A' 1615 ' ' PHE . 29.6 pt 35.01 44.02 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.051 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1610 ' ' LYS . . . . . . . . . . . . . 23.7 tptm -43.72 -83.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.756 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1611 ' ' TYR . . . . . 0.538 ' N ' ' HB2' ' A' 1615 ' ' PHE . 87.0 m-85 -89.7 151.94 21.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 66.2 t30 59.9 179.57 0.09 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.581 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -61.78 -15.68 43.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.171 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 67.6 m -163.13 106.41 1.03 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.72 ' H ' ' HA ' ' A' 1609 ' ' ILE . 88.6 t80 -92.76 -69.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.056 0.455 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.658 HH21 HD12 ' A' 1618 ' ' ILE . 34.6 ttp180 -142.79 -150.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.836 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.831 ' HD1' ' HB3' ' A' 1608 ' ' GLN . 0.1 OUTLIER -174.09 93.91 0.09 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.884 0.374 . . . . 0.0 111.095 179.443 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.658 HD12 HH21 ' A' 1616 ' ' ARG . 32.5 pt -116.29 123.75 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.635 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' 1619 ' ' TYR . 0.8 OUTLIER -69.19 121.42 81.84 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.884 -179.354 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1620 ' ' PRO . . . . . 0.495 ' HG3' HD21 ' A' 1607 ' ' LEU . 38.4 Cg_endo -65.75 -24.11 55.02 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.722 2.281 . . . . 0.0 112.758 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.778 HD13 HD13 ' A' 1627 ' ' ILE . 55.4 tp 51.87 86.53 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -108.86 -177.57 3.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 65.9 p -67.68 -11.76 58.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.8 -33.75 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.505 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.492 ' O ' HG13 ' A' 1627 ' ' ILE . 60.3 m -60.28 98.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.087 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 61.0 t-105 -58.33 103.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.778 HD13 HD13 ' A' 1621 ' ' LEU . 84.3 mt -109.87 131.31 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -138.12 119.3 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.013 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.592 ' HB3' ' HA ' ' A' 1520 ' ' GLU . 80.7 t80 -57.28 136.06 56.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -101.47 102.04 20.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' 1629 ' ' TYR . 50.4 Cg_exo -54.16 111.44 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.582 2.188 . . . . 0.0 112.406 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -87.95 -24.8 23.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.31 113.72 17.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 67.0 p -133.66 -24.7 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 67.3 p -127.07 -3.42 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 82.5 m -86.97 -66.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 80.2 p -103.54 13.27 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 53.9 m 60.06 97.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 53.6 t -160.96 105.05 1.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -136.1 6.62 3.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.8 -21.0 66.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 39.0 t80 -96.76 -42.89 7.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.472 ' N ' HD21 ' A' 1643 ' ' LEU . 2.9 mm? -65.43 -18.88 65.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -68.62 -54.85 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -75.22 -21.22 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.71 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 56.5 tp -78.96 -29.4 43.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.714 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.0 -34.29 78.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.05 -17.07 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' 1653 ' ' ILE . 85.7 t80 -89.56 -24.69 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -57.96 -72.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.374 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.97 -27.16 61.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.49 ' OD1' ' HG3' ' A' 1531 ' ' LYS . 14.8 t70 -60.21 -68.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.28 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.519 HD11 ' HZ2' ' A' 1531 ' ' LYS . 8.5 tp -67.97 -25.39 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.422 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 39.1 t80 -73.95 -36.53 64.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.532 HD11 ' ND2' ' A' 1656 ' ' ASN . 2.5 tm? -105.57 -71.54 0.74 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.711 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.532 ' ND2' HD11 ' A' 1655 ' ' LEU . 19.5 m-80 -82.41 26.35 0.56 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.009 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -62.49 178.16 5.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.059 -0.591 . . . . 0.0 113.145 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.909 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 53.4 m -145.79 -55.21 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.326 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 64.7 m80 -133.23 109.75 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 93.4 mmm 60.99 106.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.287 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -134.53 132.7 39.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.894 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.466 ' OD2' ' HB3' ' A' 1623 ' ' SER . 4.0 p-10 -73.75 -3.62 29.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.241 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' 1516 ' ' GLN . 29.7 p 41.8 -145.75 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.55 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -61.34 76.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.207 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' 1514 ' ' CYS . 65.1 tt0 -51.7 104.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.802 0.334 . . . . 0.0 110.97 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 64.4 mtt -86.3 140.5 30.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -84.17 176.87 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.03 171.49 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.34 145.94 45.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' 1521 ' ' LEU . 0.2 OUTLIER 59.67 14.53 4.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.217 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.534 ' OD2' HG13 ' A' 1525 ' ' ILE . 37.5 t70 -63.85 101.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.283 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.444 HD21 ' HD1' ' A' 1642 ' ' PHE . 21.9 mt -86.01 28.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.509 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 64.2 p -116.97 9.45 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.62 0.248 . . . . 0.0 111.345 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.534 HG13 ' OD2' ' A' 1522 ' ' ASP . 76.4 mt -104.45 137.73 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.997 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 48.7 m -84.61 -176.01 6.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -87.65 -32.35 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.167 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' 1532 ' ' GLN . 15.4 mm-40 -84.33 -24.95 29.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 71.4 m -61.89 -34.46 76.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.511 ' NH2' ' HG2' ' A' 1628 ' ' GLU . 13.0 ptm180 -102.0 2.12 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.698 ' HE3' HG13 ' A' 1653 ' ' ILE . 19.2 tptm -98.22 -37.19 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' 1528 ' ' GLU . 80.4 mt-30 -54.2 -27.63 35.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.43 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.723 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 85.4 m -66.68 -41.46 88.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.713 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.73 ' HB1' ' HE1' ' A' 1602 ' ' MET . . . -67.44 -11.07 56.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.8 t -104.67 -7.85 19.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.723 ' HE2' ' HA ' ' A' 1533 ' ' THR . 52.2 mtmt -71.86 150.51 92.95 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.96 -27.18 30.65 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.564 2.176 . . . . 0.0 112.182 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.0 -12.39 60.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.739 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.649 HD11 ' HA2' ' A' 1603 ' ' GLY . 40.6 mm -111.48 153.58 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.693 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.501 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -128.52 -66.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.7 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.796 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.7 p90 -98.11 156.82 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.382 0.611 . . . . 0.0 112.291 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -150.33 100.45 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.585 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.511 ' HB2' ' O ' ' A' 1565 ' ' ASP . 9.6 p90 -144.9 174.76 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.111 0.482 . . . . 0.0 111.79 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.514 ' HD2' ' HH ' ' A' 1567 ' ' TYR . 14.9 ptmm? -114.98 139.17 50.05 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.118 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.84 HG11 ' HA ' ' A' 1563 ' ' LEU . 15.3 m -138.86 -179.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.639 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 11.2 t -144.12 122.66 12.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.701 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.542 HD11 ' HB2' ' A' 1561 ' ' ALA . 42.1 mm -61.75 141.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.838 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 68.9 p -135.17 -33.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.626 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 36.9 t -130.23 155.56 46.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.09 0.471 . . . . 0.0 111.402 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.451 HG12 ' HD1' ' A' 1559 ' ' TYR . 86.8 mt -143.22 115.47 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 73.3 m -117.75 124.36 48.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.695 HG21 HG22 ' A' 1557 ' ' VAL . 5.7 p -136.28 136.98 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -101.94 -72.21 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 18.0 m120 -143.79 -72.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.473 ' HB ' ' HB ' ' A' 1586 ' ' VAL . 6.8 m -99.49 -51.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.462 ' H ' HG23 ' A' 1555 ' ' VAL . 63.2 m-85 -82.46 130.27 35.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.846 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.695 HG22 HG21 ' A' 1552 ' ' VAL . 40.8 t -113.76 151.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.407 ' CB ' HG22 ' A' 1583 ' ' ILE . 35.6 mttp -137.15 107.56 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.451 ' HD1' HG12 ' A' 1550 ' ' ILE . 96.2 m-85 -93.91 146.12 24.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.714 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 62.4 mttm -128.86 133.07 47.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.492 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.542 ' HB2' HD11 ' A' 1547 ' ' ILE . . . -141.83 173.1 11.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.982 0.42 . . . . 0.0 111.577 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.3 m -110.11 134.34 52.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.784 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.84 ' HA ' HG11 ' A' 1545 ' ' VAL . 22.6 tp -72.69 122.13 20.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.081 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' 1545 ' ' VAL . 10.9 mp -81.2 -42.0 21.46 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.337 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.0 t70 -168.02 155.1 8.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.732 0.301 . . . . 0.0 111.498 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.577 HG12 HD22 ' A' 1563 ' ' LEU . 16.2 mm -103.54 125.49 58.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.561 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.514 ' HH ' ' HD2' ' A' 1544 ' ' LYS . 45.4 m-85 -106.19 -21.57 13.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.411 0.624 . . . . 0.0 109.588 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.501 ' HD2' ' O ' ' A' 1540 ' ' ALA . 3.4 tmtp? -151.21 118.88 6.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.13 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1569 ' ' THR . . . . . 0.567 HG21 ' H ' ' A' 1571 ' ' GLU . 2.9 m -46.44 151.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.115 0.483 . . . . 0.0 112.045 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.796 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -95.6 -4.96 60.4 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.905 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.567 ' H ' HG21 ' A' 1569 ' ' THR . 44.7 mt-10 74.49 -44.29 0.55 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.492 0.317 . . . . 0.0 110.91 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -87.8 48.75 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.492 . . . . 0.0 110.106 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 76.0 t 60.65 82.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.971 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.625 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -117.39 129.57 55.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.362 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.548 ' O ' HD23 ' A' 1563 ' ' LEU . 45.4 mt-10 -145.22 138.47 26.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.888 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -47.83 142.75 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.617 ' HA ' ' O ' ' A' 1563 ' ' LEU . 10.9 t70 71.37 31.53 2.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.419 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.622 ' H ' ' HB3' ' A' 1563 ' ' LEU . 4.4 m -92.87 -171.2 2.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -109.95 142.51 41.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.625 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.717 HD11 ' HE2' ' A' 1582 ' ' PHE . 32.1 pt -141.22 149.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.554 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 32.2 m -140.69 103.5 4.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.82 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.717 ' HE2' HD11 ' A' 1580 ' ' ILE . 89.4 m-85 -95.43 109.3 21.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.216 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.407 HG22 ' CB ' ' A' 1558 ' ' LYS . 41.5 pt -100.33 144.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.634 ' HB3' HD22 ' A' 1621 ' ' LEU . 65.4 pttt -129.65 175.09 9.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' 1585 ' ' LYS . 12.0 mptt -97.89 -175.23 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1586 ' ' VAL . . . . . 0.473 ' HB ' ' HB ' ' A' 1555 ' ' VAL . 8.0 p -85.04 -27.93 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.056 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.0 p -83.09 7.52 15.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.505 ' C ' ' H ' ' A' 1590 ' ' ASN . 41.3 t -69.79 -95.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 38.7 m 71.51 -27.18 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.73 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.505 ' H ' ' C ' ' A' 1588 ' ' CYS . 16.9 m120 -79.42 -26.51 41.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' 1515 ' ' GLY . . . -113.14 101.32 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -125.92 109.83 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.454 ' HB3' HG13 ' A' 1547 ' ' ILE . 90.1 mt -79.88 120.48 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 88.7 t -84.22 127.77 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -67.48 141.94 56.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 71.38 36.24 63.19 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.376 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.604 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 35.5 ttm180 -142.34 153.69 44.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -98.48 136.56 38.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 0.0 111.496 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.49 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 80.7 m-85 -138.77 159.38 42.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.789 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' 1543 ' ' TYR . 44.6 tp -108.82 124.39 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.551 HD12 HG23 ' A' 1545 ' ' VAL . 2.4 mp -113.88 129.19 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.481 . . . . 0.0 111.618 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.73 ' HE1' ' HB1' ' A' 1534 ' ' ALA . 77.1 mtp -142.32 111.47 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.923 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.649 ' HA2' HD11 ' A' 1539 ' ' ILE . . . -167.28 178.72 41.26 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 119.825 -1.178 . . . . 0.0 113.789 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.647 ' HD3' ' N ' ' A' 1605 ' ' GLU . 7.2 tmtm? -56.55 156.19 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 111.167 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.647 ' N ' ' HD3' ' A' 1604 ' ' LYS . 39.4 tt0 -52.95 150.95 5.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.229 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -71.74 146.45 48.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.984 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.0 mt -68.98 130.9 44.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.807 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -80.5 -7.96 59.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.769 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' 1615 ' ' PHE . 21.2 pt -115.97 96.51 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.419 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.596 ' HE3' ' HB2' ' A' 1612 ' ' ASN . 39.8 ttpt -62.4 -19.95 63.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 37.2 p90 44.14 21.8 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.412 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1612 ' ' ASN . . . . . 0.596 ' HB2' ' HE3' ' A' 1610 ' ' LYS . 10.8 m120 -101.52 -38.57 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.913 0.387 . . . . 0.0 110.718 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -163.38 -20.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.668 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.9 t -168.15 144.49 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.458 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' 1609 ' ' ILE . 18.8 m-85 -53.39 99.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.592 ' H ' ' H ' ' A' 1610 ' ' LYS . 16.9 mmt180 -124.56 162.67 23.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -98.83 90.61 4.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 2.7 pp -106.27 152.4 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.601 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' 1582 ' ' PHE . 61.8 m-85 -101.06 123.34 45.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.297 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.86 -175.58 2.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.628 2.218 . . . . 0.0 112.234 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' 1584 ' ' LYS . 32.8 tp -154.9 96.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.55 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.1 m-20 -142.7 -174.04 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1623 ' ' SER . . . . . 0.466 ' HB3' ' OD2' ' A' 1513 ' ' ASP . 78.7 p -58.39 -22.76 55.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.6 -29.2 66.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 54.8 m -74.29 134.67 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.294 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.606 ' HB3' ' HB2' ' A' 1602 ' ' MET . 46.2 t-105 -99.07 106.04 18.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.5 mm -107.89 126.6 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.511 ' HG2' ' NH2' ' A' 1530 ' ' ARG . 10.0 tp10 -135.76 117.44 14.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.604 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 58.1 t80 -55.51 126.26 24.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.015 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -95.67 112.19 58.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.12 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.85 ' HG3' ' HB3' ' A' 1642 ' ' PHE . 10.8 Cg_endo -53.28 100.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.699 2.266 . . . . 0.0 112.393 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -60.88 -27.34 68.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.769 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -140.25 -169.53 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.004 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.638 ' OG1' ' HA ' ' A' 1639 ' ' CYS . 73.3 p -138.8 -72.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 5.2 t 175.35 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.513 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' 1638 ' ' SER . 29.4 p -118.68 -169.36 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.806 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 54.2 m -89.38 -1.13 57.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.014 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1638 ' ' SER . . . . . 0.432 ' HB2' ' SG ' ' A' 1636 ' ' CYS . 52.4 m -92.28 -14.13 29.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.05 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.638 ' HA ' ' OG1' ' A' 1634 ' ' THR . 26.5 p 40.92 90.5 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.732 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.518 ' N ' HG21 ' A' 1634 ' ' THR . 0.2 OUTLIER -146.48 7.16 0.98 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -49.98 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.378 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.85 ' HB3' ' HG3' ' A' 1631 ' ' PRO . 74.7 t80 -105.93 -14.97 15.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.083 0.468 . . . . 0.0 110.182 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.59 HD23 ' HG2' ' A' 1631 ' ' PRO . 20.2 mt -63.85 -21.1 66.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.717 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.51 77.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.787 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -84.18 -21.27 31.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.463 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' 1643 ' ' LEU . 89.6 mt -77.78 -31.59 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.704 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.48 -36.03 81.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.581 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -66.7 -56.62 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.714 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.499 ' O ' HG21 ' A' 1653 ' ' ILE . 86.1 t80 -55.81 -27.41 51.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.897 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -54.5 -63.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.162 0.506 . . . . 0.0 111.388 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.54 -1.97 56.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.39 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 15.9 t70 -84.72 -27.64 26.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.996 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.698 HG13 ' HE3' ' A' 1531 ' ' LYS . 20.0 tt -102.2 -27.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.035 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 46.1 t80 -76.43 -48.93 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.82 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 39.4 tp -71.72 -31.64 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.633 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -94.29 -78.02 0.45 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 -179.672 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.93 49.93 5.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.658 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.192 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.7 t -152.63 119.32 5.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 46.5 t60 -156.35 -32.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 64.7 mtt -74.98 -176.37 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -131.84 167.09 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.05 -74.5 0.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.996 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.488 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 39.3 t 48.91 83.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.421 ' HA3' ' HB1' ' A' 1591 ' ' ALA . . . 127.97 -51.89 0.84 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.842 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 47.99 88.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.521 -0.34 . . . . 0.0 111.38 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.55 ' HE1' ' H ' ' A' 1592 ' ' GLU . 12.1 ptp -99.69 173.37 6.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -104.77 176.37 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.459 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 14.4 mm-40 -62.83 148.17 47.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.27 -75.69 0.08 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.277 0.56 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' 1521 ' ' LEU . 0.4 OUTLIER -121.25 93.41 4.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.925 -179.35 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' A' 1519 ' ' GLU . 4.0 m-20 -145.34 113.81 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.663 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.462 HD11 ' HB1' ' A' 1641 ' ' ALA . 28.9 mt -79.85 100.42 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.987 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 7.6 t -170.23 -18.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.038 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 60.0 mt -92.64 125.08 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1526 ' ' SER . . . . . 0.468 ' HB2' ' OG1' ' A' 1529 ' ' THR . 68.7 m -81.68 161.56 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1527 ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' 1649 ' ' PHE . . . -59.07 -55.76 30.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.702 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.38 -28.97 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.154 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1529 ' ' THR . . . . . 0.468 ' OG1' ' HB2' ' A' 1526 ' ' SER . 87.8 m -59.66 -37.09 77.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.426 ' NH2' HD23 ' A' 1646 ' ' LEU . 56.0 mtm180 -83.24 -40.2 19.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.435 ' HE2' ' HB2' ' A' 1658 ' ' CYS . 88.9 tttt -65.35 -22.02 66.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.761 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -55.66 -20.35 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.69 HG23 HG13 ' A' 1539 ' ' ILE . 95.5 m -101.65 -27.42 13.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.597 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.467 ' HB3' ' SD ' ' A' 1602 ' ' MET . . . -71.14 2.0 5.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.649 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.7 t -129.89 17.1 5.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 111.286 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.667 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.2 mtmt -94.65 152.09 39.63 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.27 -44.53 48.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.717 2.278 . . . . 0.0 112.57 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.459 ' HG3' HG12 ' A' 1539 ' ' ILE . 11.0 pt-20 -59.5 -22.72 62.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.69 HG13 HG23 ' A' 1533 ' ' THR . 33.6 mm -103.17 111.46 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.11 -58.62 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.447 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.426 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.3 p90 -106.76 159.73 16.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.055 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.588 ' HB2' ' HB3' ' A' 1568 ' ' LYS . . . -148.71 102.37 3.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.404 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.694 ' HB2' HD11 ' A' 1563 ' ' LEU . 1.4 p90 -150.71 177.01 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.047 0.451 . . . . 0.0 112.015 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.595 ' HZ1' HE21 ' A' 1598 ' ' GLN . 10.2 ptmm? -116.91 140.51 49.38 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.34 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.78 HG11 ' HA ' ' A' 1563 ' ' LEU . 5.7 m -134.22 -174.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.845 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' 1561 ' ' ALA . 13.6 t -150.73 124.66 9.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.777 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.82 143.4 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 69.8 p -133.55 -24.55 1.77 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.539 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.682 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 37.7 t -153.0 159.68 42.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 111.314 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.9 mt -139.45 130.52 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.887 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 87.5 m -140.82 107.91 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.792 HG11 HG23 ' A' 1557 ' ' VAL . 38.9 t -89.68 133.75 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1553 ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' 1556 ' ' PHE . 13.0 mm-40 -99.45 -168.32 1.59 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1554 ' ' ASN . . . . . 0.558 ' N ' HD21 ' A' 1554 ' ' ASN . 0.8 OUTLIER -59.77 -41.43 91.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.023 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 39.9 t -135.79 -55.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.29 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' 1553 ' ' GLU . 90.0 m-85 -81.4 105.01 12.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.792 HG23 HG11 ' A' 1552 ' ' VAL . 32.2 t -69.74 145.09 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.76 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.676 ' HE2' HD11 ' A' 1583 ' ' ILE . 35.2 mmtp -119.98 150.76 40.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.115 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.446 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 95.9 m-85 -139.86 125.67 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.794 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.706 ' HB2' ' HZ3' ' A' 1560 ' ' LYS . 0.1 OUTLIER -103.59 131.22 50.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' 1546 ' ' SER . . . -150.48 -173.9 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.372 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.7 m -131.56 131.75 43.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.78 ' HA ' HG11 ' A' 1545 ' ' VAL . 2.8 tp -76.82 107.41 9.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.482 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' 1545 ' ' VAL . 4.2 mm? -66.48 -58.84 4.4 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.621 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 16.8 t70 -141.53 156.58 45.72 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.366 -0.533 . . . . 0.0 112.097 -178.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.502 ' CD1' HD22 ' A' 1563 ' ' LEU . 16.1 mm -104.26 118.27 51.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.586 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.695 ' HD2' HG22 ' A' 1653 ' ' ILE . 56.0 m-85 -99.94 -13.37 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.588 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 87.3 tttt -164.2 112.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.63 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 55.6 m -44.84 148.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.26 0.552 . . . . 0.0 112.177 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.67 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -106.06 151.84 17.05 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.121 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.716 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 13.6 mm-40 -77.56 -2.85 37.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.882 0.372 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -128.31 80.57 1.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.683 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.445 HG11 ' O ' ' A' 1573 ' ' VAL . 5.5 p 35.27 82.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.784 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -107.23 124.03 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.913 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.716 ' HB3' ' HB3' ' A' 1578 ' ' SER . 29.4 tt0 -134.11 148.4 50.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.688 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.641 ' O ' ' HB2' ' A' 1577 ' ' ASP . 21.4 ptmt -78.52 48.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.509 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' A' 1576 ' ' LYS . 18.9 t70 164.12 8.82 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.236 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.716 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 28.7 p -72.3 -171.65 0.8 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -101.71 149.77 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.376 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.533 HD13 ' CE2' ' A' 1582 ' ' PHE . 14.7 pt -143.72 145.93 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.041 0.448 . . . . 0.0 111.831 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 16.8 m -133.69 99.92 4.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.318 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.539 ' HB3' HD11 ' A' 1621 ' ' LEU . 70.7 m-85 -81.54 113.63 19.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.676 HD11 ' HE2' ' A' 1558 ' ' LYS . 4.9 tt -99.26 111.08 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.047 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.417 ' HB2' HD22 ' A' 1621 ' ' LEU . 35.2 ttpt -111.06 152.22 27.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.68 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.557 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 95.0 mttt -86.56 -179.72 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.1 p -91.1 -21.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 79.5 p -74.51 -33.1 62.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.31 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 1.3 m -58.73 107.88 0.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 58.5 m -103.65 -25.68 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.096 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -81.44 -25.06 36.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.421 ' HB1' ' HA3' ' A' 1515 ' ' GLY . . . -92.11 109.21 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.27 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1592 ' ' GLU . . . . . 0.55 ' H ' ' HE1' ' A' 1517 ' ' MET . 43.3 mt-10 -132.07 140.89 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.593 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.414 HD12 HD23 ' A' 1621 ' ' LEU . 87.4 mt -126.57 144.07 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.075 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 46.0 t -110.22 141.41 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.87 106.6 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 121.29 -19.75 8.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.744 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.74 ' HA ' ' HD2' ' A' 1632 ' ' ARG . 10.2 mpt_? -88.52 158.87 18.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.995 0.426 . . . . 0.0 111.443 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.595 HE21 ' HZ1' ' A' 1544 ' ' LYS . 26.2 mt-30 -102.03 144.75 30.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.526 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -143.04 157.87 44.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 0.0 111.421 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' 1543 ' ' TYR . 35.5 tp -104.23 120.68 41.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.228 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.563 HD13 HG21 ' A' 1545 ' ' VAL . 2.5 mp -115.34 126.27 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.972 0.415 . . . . 0.0 111.668 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.467 ' SD ' ' HB3' ' A' 1534 ' ' ALA . 25.9 mtm -142.26 118.5 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.055 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' A' 1539 ' ' ILE . . . -175.86 -177.83 45.2 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.317 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -56.55 155.7 7.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.867 0.365 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.716 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 13.3 pt-20 -57.55 170.05 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.984 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -91.81 116.02 28.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 9.9 mt -90.95 91.87 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.467 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.726 ' HG3' ' H ' ' A' 1618 ' ' ILE . 69.7 mm-40 -144.02 -85.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.024 0.44 . . . . 0.0 110.903 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 20.6 mt 66.73 114.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.335 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.453 ' HA ' ' H ' ' A' 1615 ' ' PHE . 41.0 ttmt -75.44 101.37 4.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.732 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 49.5 t80 -158.37 143.1 16.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 92.5 m-20 62.01 -84.52 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -88.37 0.28 56.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 55.1 m 58.4 93.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.453 ' H ' ' HA ' ' A' 1610 ' ' LYS . 98.1 m-85 -91.01 -48.3 7.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.647 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.472 ' O ' HG12 ' A' 1618 ' ' ILE . 79.2 ttt180 69.33 130.06 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.673 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.523 ' HA ' ' HB2' ' A' 1608 ' ' GLN . 7.8 m-85 -58.85 127.47 32.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.463 0.649 . . . . 0.0 112.183 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.726 ' H ' ' HG3' ' A' 1608 ' ' GLN . 2.0 pt -150.73 100.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.812 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -57.37 108.94 1.42 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.536 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1620 ' ' PRO . . . . . 0.667 ' HA ' HG22 ' A' 1583 ' ' ILE . 69.4 Cg_endo -74.08 143.97 33.16 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.659 2.24 . . . . 0.0 112.221 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.539 HD11 ' HB3' ' A' 1582 ' ' PHE . 10.2 mp -103.04 93.33 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.84 177.17 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.668 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 61.1 p -61.0 -15.13 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.7 pp -94.02 14.66 19.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 62.7 m -109.34 119.91 40.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.448 ' O ' ' HA ' ' A' 1601 ' ' ILE . 53.6 t-105 -82.45 110.47 17.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.69 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.8 mt -126.01 115.39 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -123.85 150.54 44.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -83.48 114.01 21.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.433 ' CE2' HD11 ' A' 1646 ' ' LEU . 2.5 t-105 -93.75 115.34 64.98 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.251 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.717 ' HB2' HD11 ' A' 1643 ' ' LEU . 75.9 Cg_exo -49.51 107.23 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.492 2.128 . . . . 0.0 112.432 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1632 ' ' ARG . . . . . 0.74 ' HD2' ' HA ' ' A' 1597 ' ' ARG . 80.9 mtp180 -50.01 -35.5 24.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.245 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 39.2 t70 -117.05 147.95 41.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.051 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.7 HG21 ' HG ' ' A' 1643 ' ' LEU . 76.4 p -103.05 20.96 16.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.45 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 46.1 p -146.81 78.26 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.97 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 81.8 m -83.82 -75.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.1 t -121.19 -72.24 0.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 52.1 m -69.58 -67.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.71 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.467 ' SG ' ' HG3' ' A' 1640 ' ' GLN . 52.1 t -167.28 -89.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.841 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 43.2 mt-30 -131.19 73.52 1.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.629 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1641 ' ' ALA . . . . . 0.462 ' HB1' HD11 ' A' 1523 ' ' LEU . . . -54.24 -72.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 57.7 t80 -81.5 -21.59 38.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.841 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.7 mm? -72.01 -5.92 38.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -80.94 -43.79 19.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -73.25 -11.73 60.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.69 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' 1643 ' ' LEU . 80.1 mt -87.23 -28.7 22.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.775 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -63.73 -39.19 93.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.42 -50.66 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.764 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.454 ' HB2' ' HB3' ' A' 1527 ' ' ALA . 85.4 t80 -62.33 -30.49 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.07 89.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.385 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -96.64 -4.38 41.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.578 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.8 t70 -89.85 -23.36 21.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.695 HG22 ' HD2' ' A' 1567 ' ' TYR . 9.5 tp -97.13 -18.11 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.041 0.448 . . . . 0.0 110.728 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.8 t80 -93.56 -48.1 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.294 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 45.3 tp -79.36 -54.76 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.644 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -76.92 -74.63 0.23 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.182 -179.53 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 72.88 119.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1658 ' ' CYS . . . . . 0.435 ' HB2' ' HE2' ' A' 1531 ' ' LYS . 42.2 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.087 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 51.7 m -143.46 148.52 36.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.0 m80 -85.3 151.78 23.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 58.5 ttp -141.73 111.47 6.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -148.45 110.88 4.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.99 100.39 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 5.4 p -101.13 24.5 9.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.268 0.556 . . . . 0.0 110.461 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -173.82 -43.8 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.428 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 58.23 97.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.918 0.389 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.458 ' HE1' ' HA ' ' A' 1591 ' ' ALA . 21.6 ptp -96.11 169.53 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1518 ' ' GLN . . . . . 0.412 ' HB2' ' HG2' ' A' 1628 ' ' GLU . 29.1 mm-40 -98.49 172.42 7.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.76 159.06 26.01 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1520 ' ' GLU . . . . . 0.655 ' HA ' ' HB3' ' A' 1629 ' ' TYR . 44.6 mt-10 -82.0 -19.33 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.671 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 41.1 mt -150.25 97.79 2.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -137.01 109.78 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.631 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 45.4 mt -86.61 12.46 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.954 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 73.6 p -85.69 -43.53 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.3 mt -74.3 134.87 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 62.9 m -92.12 -176.65 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1527 ' ' ALA . . . . . 0.466 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -74.98 -52.81 10.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -67.22 -21.09 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 72.5 m -66.23 -38.66 88.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -97.22 -3.11 41.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.533 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.1 tmtp? -84.54 -34.3 23.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.5 mm-40 -56.36 -21.86 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.002 0.43 . . . . 0.0 110.525 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.617 HG23 ' HE2' ' A' 1536 ' ' LYS . 82.6 m -80.66 -30.5 36.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.758 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.437 ' HB1' ' HE1' ' A' 1602 ' ' MET . . . -59.7 -52.71 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.187 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.8 t -85.04 8.46 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.646 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 33.4 ttpt -66.93 137.85 94.9 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.588 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1537 ' ' PRO . . . . . 0.631 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 9.6 Cg_endo -52.04 -53.25 7.28 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.921 2.414 . . . . 0.0 113.034 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.646 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 11.2 pt-20 -59.75 -18.59 44.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 0.0 111.201 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.772 HD11 ' HA2' ' A' 1603 ' ' GLY . 43.3 mm -96.8 140.14 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.842 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -107.56 -67.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.72 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.471 ' HE1' HG22 ' A' 1601 ' ' ILE . 5.4 p90 -103.23 158.69 16.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.182 0.515 . . . . 0.0 111.925 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -146.9 94.12 2.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.304 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.754 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 5.6 p90 -147.37 168.97 20.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 111.753 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.508 ' HG2' ' HE1' ' A' 1567 ' ' TYR . 23.2 ptmt -103.56 144.07 31.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.346 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.868 HG12 ' HA ' ' A' 1563 ' ' LEU . 18.9 m -140.92 -176.3 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.484 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 15.1 t -147.83 129.94 15.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.4 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 42.5 mm -63.14 124.45 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1548 ' ' THR . . . . . 0.506 ' HG1' ' HA ' ' A' 1561 ' ' ALA . 73.4 p -111.75 -13.18 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.63 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.705 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 35.1 t -169.28 157.83 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.989 0.424 . . . . 0.0 111.321 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.441 HG12 ' HD1' ' A' 1559 ' ' TYR . 76.3 mt -136.34 103.69 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.801 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.8 m -91.59 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.0 p -96.17 132.57 40.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.013 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1553 ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' 1556 ' ' PHE . 43.8 mt-10 -117.6 -166.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.27 -56.31 23.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.143 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 38.6 t -122.66 -45.5 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.381 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' 1553 ' ' GLU . 93.1 m-85 -85.23 168.93 14.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 111.12 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 69.9 t -143.27 144.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.621 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.489 ' HG2' ' CD1' ' A' 1583 ' ' ILE . 87.5 mttt -123.99 109.96 14.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.07 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 96.4 m-85 -88.5 107.55 18.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.705 ' HB3' ' HB3' ' A' 1549 ' ' SER . 22.3 tptm -84.88 120.31 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.468 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.506 ' HA ' ' HG1' ' A' 1548 ' ' THR . . . -141.24 163.73 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.053 0.454 . . . . 0.0 111.662 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.6 m -110.65 144.38 39.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.773 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.868 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.3 tt -77.62 119.54 21.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.172 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.562 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.0 mp -74.54 -48.93 24.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.783 0.325 . . . . 0.0 111.03 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.1 t70 -167.86 141.6 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.754 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.3 mt -96.96 129.95 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.066 0.46 . . . . 0.0 112.119 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.508 ' HE1' ' HG2' ' A' 1544 ' ' LYS . 48.3 m-85 -106.1 -15.92 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.125 178.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.567 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 61.7 tttp -153.42 112.49 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.749 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 72.5 m -45.41 146.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.153 0.501 . . . . 0.0 112.033 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.737 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -100.61 131.61 10.63 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.275 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -58.25 -27.95 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.64 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.68 42.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.502 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 71.1 t 56.56 91.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.321 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.737 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -114.63 136.72 52.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.672 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -138.96 149.35 44.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.096 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -52.61 119.08 4.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.303 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.697 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 62.83 69.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 22.8 t -111.97 -166.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.411 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -110.8 135.92 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.697 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.573 HD13 ' HE1' ' A' 1582 ' ' PHE . 18.3 pt -141.38 143.11 28.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.618 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 6.2 m -127.79 105.85 8.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.657 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.573 ' HE1' HD13 ' A' 1580 ' ' ILE . 64.3 m-85 -80.4 104.27 10.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.075 0.464 . . . . 0.0 111.219 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.489 ' CD1' ' HG2' ' A' 1558 ' ' LYS . 1.1 mm -81.97 120.3 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.26 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.566 ' HB2' HD23 ' A' 1621 ' ' LEU . 34.1 ttpt -142.76 157.92 44.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.043 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -91.86 -176.55 4.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 13.8 p -100.51 -9.19 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.5 p -71.35 -25.41 62.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.477 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.9 m -60.24 167.99 2.19 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.017 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 28.4 m -154.33 -17.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.748 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.402 ' O ' ' HG2' ' A' 1517 ' ' MET . 36.0 m-80 -110.06 -13.56 14.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.185 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.458 ' HA ' ' HE1' ' A' 1517 ' ' MET . . . -103.23 39.64 1.54 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -100.23 111.18 23.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.51 HD11 ' N ' ' A' 1593 ' ' LEU . 3.4 mp -95.89 158.68 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 49.6 t -104.75 146.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' 1548 ' ' THR . 86.9 tttt -81.58 141.52 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 93.4 -12.69 69.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.779 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.689 ' HD3' ' HE2' ' A' 1629 ' ' TYR . 93.0 mtt180 -99.64 171.9 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.432 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.545 ' HG3' ' HD2' ' A' 1632 ' ' ARG . 27.1 mt-30 -111.88 133.46 54.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -135.06 141.62 46.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.314 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 61.0 tp -78.29 140.44 38.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.149 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.471 HG22 ' HE1' ' A' 1541 ' ' TYR . 47.9 mm -128.93 121.4 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.105 0.478 . . . . 0.0 111.755 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.437 ' HE1' ' HB1' ' A' 1534 ' ' ALA . 74.0 mtp -145.68 109.0 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.001 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.772 ' HA2' HD11 ' A' 1539 ' ' ILE . . . -174.69 -172.94 40.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 119.875 -1.155 . . . . 0.0 113.646 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.52 ' HZ2' ' HG2' ' A' 1605 ' ' GLU . 27.8 tptp -53.44 157.37 2.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.45 -0.375 . . . . 0.0 111.277 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.64 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.7 pt-20 -71.22 -174.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.439 ' HB1' ' CD2' ' A' 1619 ' ' TYR . . . -93.85 -177.22 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.0 mt -93.36 -168.93 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.428 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 33.7 tt0 -155.8 98.43 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.468 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' A' 1616 ' ' ARG . 3.0 mt -123.6 24.77 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.027 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.711 ' HZ3' ' HB2' ' A' 1610 ' ' LYS . 0.0 OUTLIER -49.1 138.48 12.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.084 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 80.7 t80 -111.96 -69.23 0.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -167.15 -59.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.46 82.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 46.6 t -147.82 144.7 28.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.988 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.568 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 27.9 p90 -93.35 146.59 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.979 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.542 ' HB2' ' HB ' ' A' 1609 ' ' ILE . 25.5 mmm180 -108.62 92.28 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 29.6 m-85 -115.81 28.18 8.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.926 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' 1618 ' ' ILE . 2.6 pp -52.37 146.05 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.479 ' CE1' HG23 ' A' 1580 ' ' ILE . 56.1 m-85 -97.5 122.72 54.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.816 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.59 -174.49 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.523 2.149 . . . . 0.0 112.204 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.566 HD23 ' HB2' ' A' 1584 ' ' LYS . 44.3 tp -159.2 95.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.776 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.503 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.8 m-20 -122.83 -176.54 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 75.2 p -63.66 -17.35 62.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.95 10.75 10.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.836 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.486 HG21 HG13 ' A' 1627 ' ' ILE . 36.7 m -100.4 106.79 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -78.1 104.13 8.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.777 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.486 HG13 HG21 ' A' 1625 ' ' THR . 66.0 mt -120.83 141.48 41.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.085 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.412 ' HG2' ' HB2' ' A' 1518 ' ' GLN . 47.6 mt-10 -138.81 -176.81 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.689 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 63.5 t80 -114.37 135.28 54.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.68 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -106.27 100.78 31.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.697 ' HB2' HD23 ' A' 1643 ' ' LEU . 52.8 Cg_exo -52.73 110.54 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.608 2.205 . . . . 0.0 112.414 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1632 ' ' ARG . . . . . 0.545 ' HD2' ' HG3' ' A' 1598 ' ' GLN . 74.0 mtp180 -81.22 -5.39 57.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -100.6 115.46 30.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 70.2 p -134.19 1.0 3.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 71.7 p -86.55 -2.35 58.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 81.9 m -94.76 176.42 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.6 t -97.62 136.32 38.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 53.9 m 59.18 16.56 4.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 53.0 t -102.96 -25.24 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.775 ' HA ' HD21 ' A' 1643 ' ' LEU . 11.8 pt20 -89.26 10.71 21.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.55 96.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 71.9 t80 -65.56 -32.82 74.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.775 HD21 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -73.07 -32.39 64.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.53 81.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -73.27 -4.99 36.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 51.9 tp -99.58 -25.87 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.71 -41.47 90.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.652 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.68 -28.04 68.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.652 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.466 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 73.4 t80 -79.84 -33.01 40.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -62.26 -24.58 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.411 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -102.7 -35.81 8.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.941 0.401 . . . . 0.0 111.013 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.523 ' O ' ' HB2' ' A' 1656 ' ' ASN . 20.2 t70 -62.9 -11.4 18.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.291 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' 1649 ' ' PHE . 9.3 tp -106.05 -30.86 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 111.193 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 50.6 t80 -93.68 -55.34 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' 1655 ' ' LEU . 1.6 tm? -66.03 -43.95 86.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.332 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.585 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -89.71 -70.9 0.64 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.246 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.89 174.73 37.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.886 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.6 t -152.63 -61.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.714 0.292 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 52.9 t-80 64.85 150.22 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1511 ' ' MET . . . . . 0.716 ' HG2' ' H ' ' A' 1512 ' ' ALA . 22.2 ttp -162.56 -167.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.473 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1512 ' ' ALA . . . . . 0.716 ' H ' ' HG2' ' A' 1511 ' ' MET . . . 78.4 -61.37 0.37 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.011 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -129.79 22.37 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.142 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' 1589 ' ' THR . 31.6 p -46.64 141.58 3.71 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 42.89 40.1 3.95 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.131 -1.033 . . . . 0.0 111.161 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -32.16 112.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.87 -0.665 . . . . 0.0 112.056 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.518 ' H ' HD22 ' A' 1590 ' ' ASN . 24.5 mmt -97.09 -168.16 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.53 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -136.31 165.82 24.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.76 139.92 55.61 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -66.12 -23.3 66.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 70.0 mt -149.57 99.83 2.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -120.47 119.04 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.746 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 54.4 mt -106.08 4.52 29.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 70.7 p -92.67 -26.22 17.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.7 mt -80.89 129.43 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.8 m -82.86 163.41 21.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -68.72 -21.9 64.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.0 mt-10 -88.4 -28.94 20.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 64.4 m -62.55 -44.01 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' 1530 ' ' ARG . 4.4 ptp180 -76.41 -9.42 58.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.665 ' HD2' ' HB1' ' A' 1534 ' ' ALA . 22.8 tptm -91.56 -26.19 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.0 mm-40 -59.03 -17.41 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.988 0.423 . . . . 0.0 110.465 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.763 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 71.1 m -93.42 -28.33 16.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' 1531 ' ' LYS . . . -68.82 -41.27 78.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.514 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 31.2 t -70.36 -5.52 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.763 ' HE2' ' HA ' ' A' 1533 ' ' THR . 49.9 mtmt -79.95 142.5 56.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.978 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.39 -28.2 84.17 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.732 2.288 . . . . 0.0 112.317 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.88 -30.94 69.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.86 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -99.15 120.36 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.4 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -93.92 -59.1 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.962 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.437 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -105.78 167.5 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.426 0.631 . . . . 0.0 112.36 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -156.07 114.78 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.438 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.701 ' HB2' HD13 ' A' 1563 ' ' LEU . 0.8 OUTLIER -167.22 171.02 11.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 112.088 -179.308 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.459 ' HE2' ' CD2' ' A' 1630 ' ' TRP . 15.0 ttmt -106.27 124.37 49.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.601 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.649 HG13 ' HA ' ' A' 1563 ' ' LEU . 30.4 m -114.76 177.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.348 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.429 ' HB3' HD12 ' A' 1564 ' ' LEU . 80.6 p -146.17 116.01 7.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.045 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 39.6 mm -55.67 142.69 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.726 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 61.6 p -130.46 -34.36 1.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.77 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 75.3 m -147.48 146.92 29.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 111.533 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.1 mt -129.67 138.58 53.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 68.5 m -151.28 136.9 17.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.235 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.725 HG23 HG21 ' A' 1557 ' ' VAL . 5.1 p -115.25 137.77 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -139.7 119.65 13.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 59.81 -84.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.11 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' 1556 ' ' PHE . 5.0 m -131.24 -48.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.476 ' HA ' ' O ' ' A' 1584 ' ' LYS . 96.3 m-85 -69.83 120.69 15.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.725 HG21 HG23 ' A' 1552 ' ' VAL . 30.7 t -98.0 116.36 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.738 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.6 OUTLIER -83.94 150.32 25.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -137.7 101.34 4.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -82.43 111.13 18.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.467 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -114.62 -178.3 3.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.489 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 10.0 m -136.3 114.75 11.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.717 HD21 HG12 ' A' 1566 ' ' ILE . 16.4 tp -60.63 103.83 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.469 ' H ' ' HA ' ' A' 1545 ' ' VAL . 74.0 mt -61.04 -41.06 95.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.226 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.457 ' O ' HD13 ' A' 1563 ' ' LEU . 20.8 t70 -168.97 150.45 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.717 HG12 HD21 ' A' 1563 ' ' LEU . 54.6 mt -90.44 142.52 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 121.149 0.5 . . . . 0.0 112.009 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' 1542 ' ' ALA . 42.0 m-85 -121.42 -13.49 8.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.14 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.538 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.6 tttp -168.79 109.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.429 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 26.3 m -42.29 143.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.213 0.53 . . . . 0.0 112.288 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.716 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -100.86 126.4 8.91 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.33 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -59.04 -24.68 63.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.785 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.559 ' HB3' ' HB2' ' A' 1605 ' ' GLU . . . -91.07 43.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.628 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.5 t 58.34 92.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.215 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.716 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -125.01 129.35 50.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.602 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.578 ' O ' HD22 ' A' 1563 ' ' LEU . 43.2 mt-10 -136.33 152.93 51.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.504 ' N ' HD11 ' A' 1566 ' ' ILE . 61.3 tttm -60.93 129.71 42.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.981 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.545 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.7 t70 62.02 43.87 8.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.179 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.508 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 45.0 m -90.95 -176.81 4.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.661 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -122.39 119.63 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.616 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.676 HD13 ' H ' ' A' 1580 ' ' ILE . 0.2 OUTLIER -130.94 160.32 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.395 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 20.2 m -123.03 133.53 54.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.571 ' HA ' ' O ' ' A' 1619 ' ' TYR . 36.5 m-85 -117.44 114.62 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.738 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.8 pt -98.87 152.46 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.367 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.757 ' HB3' HD13 ' A' 1621 ' ' LEU . 60.8 pttt -142.71 -172.23 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.563 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -124.01 135.03 53.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 19.6 m -65.84 -11.94 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.2 p -88.3 2.94 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 11.0 t -88.67 124.29 33.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1589 ' ' THR . . . . . 0.48 ' N ' ' SG ' ' A' 1514 ' ' CYS . 20.8 m -113.5 65.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.957 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.518 HD22 ' H ' ' A' 1517 ' ' MET . 5.5 t30 -175.16 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -84.39 131.56 34.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.003 0.43 . . . . 0.0 111.5 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -141.06 138.81 33.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.775 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 97.0 mt -135.75 121.29 19.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 67.5 t -99.01 142.43 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.2 tttt -69.28 141.13 54.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 58.63 66.1 3.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.57 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.441 ' HB3' ' CE2' ' A' 1599 ' ' TYR . 32.3 ttt180 -151.85 150.93 30.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.66 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -87.19 116.67 25.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.481 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' 1597 ' ' ARG . 49.0 m-85 -130.06 123.85 31.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.062 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.872 ' HB3' ' HB2' ' A' 1628 ' ' GLU . 55.0 tp -82.41 122.44 28.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.411 HD11 ' CZ ' ' A' 1582 ' ' PHE . 85.6 mt -117.17 138.19 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.025 0.441 . . . . 0.0 111.643 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.625 ' HG2' HG22 ' A' 1539 ' ' ILE . 57.9 ttp -154.9 128.23 8.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.403 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.86 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 161.47 -158.27 30.02 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.472 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 27.1 tptp -43.75 154.12 0.11 Allowed 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 122.75 0.42 . . . . 0.0 111.654 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' 1572 ' ' ALA . 10.3 pt-20 -82.1 55.7 2.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.487 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . 53.62 -167.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.964 0.411 . . . . 0.0 111.647 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.597 ' HG ' ' H ' ' A' 1609 ' ' ILE . 25.7 tp -98.7 164.5 12.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.599 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -114.97 -15.73 11.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.842 0.353 . . . . 0.0 111.321 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' 1609 ' ' ILE . 0.2 OUTLIER -139.05 99.99 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.044 0.45 . . . . 0.0 111.377 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.747 ' HB2' ' HB2' ' A' 1616 ' ' ARG . 62.3 tttp -53.07 -29.9 32.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.029 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 76.1 t80 56.07 92.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.131 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -176.27 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.661 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -168.67 -20.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.756 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.8 p -166.88 131.8 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.688 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1615 ' ' PHE . . . . . . . . . . . . . 45.7 p90 -52.03 137.42 27.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.747 ' HB2' ' HB2' ' A' 1610 ' ' LYS . 34.4 mmt180 -149.74 160.42 43.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -105.15 80.81 1.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.584 HD13 HD12 ' A' 1583 ' ' ILE . 41.8 pt -105.85 130.06 57.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' 1582 ' ' PHE . 2.8 m-85 -72.77 115.13 36.78 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.235 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.23 -172.19 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.728 2.285 . . . . 0.0 112.399 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.757 HD13 ' HB3' ' A' 1584 ' ' LYS . 83.5 mt -143.74 99.79 3.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.729 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -123.1 -171.61 2.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.7 p -80.48 0.86 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.6 pp -95.3 -34.9 12.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.459 ' O ' HG12 ' A' 1627 ' ' ILE . 39.0 m -59.14 97.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.172 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -60.33 105.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.796 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' 1625 ' ' THR . 50.6 mm -101.97 142.68 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.0 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.872 ' HB2' ' HB3' ' A' 1600 ' ' LEU . 20.8 mm-40 -141.52 158.91 43.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 48.3 t80 -107.46 132.29 53.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.586 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.459 ' CD2' ' HE2' ' A' 1544 ' ' LYS . 4.4 t-105 -107.88 103.42 49.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.797 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.611 ' HB3' ' HB3' ' A' 1639 ' ' CYS . 72.0 Cg_exo -49.37 117.77 3.15 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.641 2.228 . . . . 0.0 112.263 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -77.8 5.25 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.222 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -140.07 179.23 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.383 . . . . 0.0 111.22 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 57.4 p -140.04 -60.99 0.53 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.061 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 70.7 p -83.93 10.31 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.251 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.3 t -59.63 -57.85 11.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.3 t -160.8 -58.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 38.9 t -149.64 9.18 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.611 ' HB3' ' HB3' ' A' 1631 ' ' PRO . 82.5 m -62.35 -27.41 69.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.54 -30.2 67.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.28 70.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.212 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' 1646 ' ' LEU . 55.6 t80 -87.94 -33.92 18.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' 1631 ' ' PRO . 1.1 tp -70.1 -11.98 61.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -93.35 -31.89 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -87.25 -20.08 27.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.486 HD22 ' HE2' ' A' 1642 ' ' PHE . 62.3 tp -91.29 -24.02 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.09 -34.81 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.785 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -63.81 -37.29 86.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.759 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.443 ' O ' HG23 ' A' 1653 ' ' ILE . 89.3 t80 -76.81 -27.96 55.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -61.86 -23.38 66.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.278 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -115.93 -3.58 12.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.037 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.678 ' HA ' HD21 ' A' 1656 ' ' ASN . 20.5 t70 -90.68 -10.62 42.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.493 HD12 ' HD2' ' A' 1568 ' ' LYS . 6.9 tp -108.27 -30.6 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.037 0.446 . . . . 0.0 110.788 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 38.1 t80 -84.67 -46.83 11.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.992 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.36 -63.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.715 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.678 HD21 ' HA ' ' A' 1652 ' ' ASP . 20.3 m-80 -63.93 -72.45 0.14 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.404 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 68.71 162.03 2.46 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.401 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 38.9 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.893 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.1 t -142.51 -5.48 0.94 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 42.9 t60 -66.36 118.68 10.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 50.0 tpp -147.2 128.59 14.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -146.21 151.47 37.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -62.14 -79.4 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.555 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 8.2 t 52.1 92.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.305 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . 80.67 42.79 9.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.707 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -47.81 130.77 14.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.377 -0.411 . . . . 0.0 111.207 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 85.0 mtp -118.1 166.19 12.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -94.14 153.86 17.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.68 167.14 13.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -99.19 120.53 39.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.2 mt 57.01 90.33 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.424 ' O ' HG21 ' A' 1524 ' ' THR . 7.5 p-10 -148.27 83.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.788 HD21 ' H ' ' A' 1523 ' ' LEU . 0.5 OUTLIER -59.8 98.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1524 ' ' THR . . . . . 0.424 HG21 ' O ' ' A' 1522 ' ' ASP . 7.5 t -173.81 -18.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 61.2 mt -88.69 135.38 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1526 ' ' SER . . . . . 0.541 ' HB3' ' HG1' ' A' 1529 ' ' THR . 47.5 t -81.73 150.86 27.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.37 59.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -73.49 -36.88 65.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1529 ' ' THR . . . . . 0.541 ' HG1' ' HB3' ' A' 1526 ' ' SER . 63.1 m -59.51 -33.35 71.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.519 HH22 HD12 ' A' 1646 ' ' LEU . 55.5 mtm180 -81.92 -40.4 22.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.565 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.5 tmtp? -58.79 -41.34 86.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.695 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.2 mm-40 -51.74 -29.41 18.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.67 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.708 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 59.3 m -70.43 -38.32 74.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.788 ' HB3' ' HE3' ' A' 1602 ' ' MET . . . -69.02 -25.64 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.986 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 42.3 t -85.34 -14.08 47.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.708 ' HE3' ' HA ' ' A' 1533 ' ' THR . 97.8 mttt -58.03 150.37 51.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.23 -4.36 12.56 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.457 2.105 . . . . 0.0 112.202 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -92.02 -71.28 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.684 HG13 HG21 ' A' 1533 ' ' THR . 43.6 mm -48.63 147.48 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.55 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.473 ' N ' ' HA ' ' A' 1604 ' ' LYS . . . -119.73 -70.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.626 ' HA ' ' O ' ' A' 1568 ' ' LYS . 8.7 p90 -89.63 144.37 26.05 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -155.49 108.79 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.757 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER -175.64 -123.81 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.636 178.083 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.617 ' HD3' HE21 ' A' 1598 ' ' GLN . 39.1 ttmt -135.95 147.52 48.11 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.431 0.634 . . . . 0.0 112.242 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.629 ' HA ' ' H ' ' A' 1564 ' ' LEU . 3.6 m -144.01 168.61 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.058 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 31.3 t -138.15 118.99 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 111.409 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 45.9 mm -57.45 135.71 21.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.715 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 75.6 p -111.16 -43.8 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.626 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 66.7 m -151.37 161.33 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.033 0.444 . . . . 0.0 111.471 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 78.4 mt -127.93 98.68 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.693 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1551 ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 85.3 m -81.89 122.51 27.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.326 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 89.7 t -111.93 122.98 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.745 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -109.25 -73.59 0.68 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.031 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 44.6 t30 -167.88 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.425 ' O ' HG11 ' A' 1586 ' ' VAL . 62.1 t -95.17 -21.39 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.495 ' HA ' ' O ' ' A' 1584 ' ' LYS . 89.9 m-85 -126.49 108.29 11.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.727 HG21 HG12 ' A' 1586 ' ' VAL . 86.6 t -93.37 115.3 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.776 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.829 ' HG3' HG23 ' A' 1583 ' ' ILE . 0.7 OUTLIER -85.71 144.76 27.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 -179.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.537 ' HH ' ' HZ3' ' A' 1584 ' ' LYS . 96.2 m-85 -127.16 99.54 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.603 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -79.66 137.79 37.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -151.84 176.3 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.198 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 51.8 m -123.58 111.85 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.995 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.66 HD22 ' CG1' ' A' 1566 ' ' ILE . 14.6 tp -64.98 101.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.515 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.629 ' H ' ' HA ' ' A' 1545 ' ' VAL . 10.8 mp -56.14 -66.53 0.42 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.875 0.369 . . . . 0.0 111.97 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.757 ' O ' ' HB3' ' A' 1543 ' ' TYR . 8.2 m-20 -139.14 168.47 19.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.66 ' CG1' HD22 ' A' 1563 ' ' LEU . 10.1 mm -136.04 113.07 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.686 0.616 . . . . 0.0 112.428 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.624 ' HB2' ' O ' ' A' 1542 ' ' ALA . 20.1 m-85 -75.88 -45.95 32.81 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.626 ' O ' ' HA ' ' A' 1541 ' ' TYR . 55.4 tttm -123.05 124.23 42.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.142 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1569 ' ' THR . . . . . 0.757 HG22 ' H ' ' A' 1571 ' ' GLU . 26.9 m -51.66 141.27 16.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.59 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.648 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -80.04 1.23 80.7 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.834 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.757 ' H ' HG22 ' A' 1569 ' ' THR . 44.9 mt-10 58.8 9.74 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.579 ' HB3' ' HG3' ' A' 1605 ' ' GLU . . . -147.34 80.32 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' 1573 ' ' VAL . 21.3 t 46.05 45.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.372 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.648 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -104.31 134.38 47.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.672 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.567 ' HG2' ' HB3' ' A' 1578 ' ' SER . 11.2 pt-20 -167.06 152.85 7.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.405 ' CB ' ' HA ' ' A' 1565 ' ' ASP . 21.7 ptmt -56.09 128.75 36.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' 1563 ' ' LEU . 12.7 t70 69.14 41.19 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.234 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.567 ' HB3' ' HG2' ' A' 1575 ' ' GLU . 85.3 p -104.04 -165.29 1.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.63 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -112.23 138.23 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.638 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.672 HD13 ' HE1' ' A' 1582 ' ' PHE . 32.6 pt -139.24 152.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.391 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 35.6 m -146.39 118.7 8.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.672 ' HE1' HD13 ' A' 1580 ' ' ILE . 92.7 m-85 -108.67 117.7 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.829 HG23 ' HG3' ' A' 1558 ' ' LYS . 50.9 pt -100.28 147.52 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.743 ' HB3' ' HZ2' ' A' 1584 ' ' LYS . 6.3 ttpm? -131.17 155.05 47.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.763 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' 1586 ' ' VAL . 50.6 mtpt -92.0 22.09 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1586 ' ' VAL . . . . . 0.73 ' HA ' ' HE2' ' A' 1584 ' ' LYS . 2.3 m 48.68 18.42 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.976 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1587 ' ' THR . . . . . 0.522 HG23 ' O ' ' A' 1585 ' ' LYS . 47.2 p -93.52 -31.51 14.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.344 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.643 ' HB2' ' HD2' ' A' 1584 ' ' LYS . 73.6 m -62.91 153.34 33.77 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.225 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 59.0 m -128.52 -28.32 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.055 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 7.0 t30 -88.89 -28.78 20.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.512 ' HB1' ' HA3' ' A' 1515 ' ' GLY . . . -77.72 106.06 9.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.195 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -134.44 120.28 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.7 mt -98.48 170.63 8.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 78.6 t -132.09 133.09 60.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -67.72 132.58 47.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 64.64 75.62 0.37 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.706 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.535 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 31.4 ttm180 -169.91 143.1 2.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.617 HE21 ' HD3' ' A' 1544 ' ' LYS . 28.9 mt-30 -83.52 122.29 28.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.386 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.535 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 57.6 m-85 -128.18 142.9 51.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.367 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' 1543 ' ' TYR . 26.2 tp -80.69 125.48 30.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.659 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.553 HD13 HG22 ' A' 1545 ' ' VAL . 30.4 mt -127.47 134.34 65.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.469 0.652 . . . . 0.0 112.532 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.788 ' HE3' ' HB3' ' A' 1534 ' ' ALA . 79.1 mtp -140.57 93.36 2.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.337 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . -133.36 157.63 22.81 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.451 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.486 ' HZ2' HD12 ' A' 1624 ' ' LEU . 0.0 OUTLIER -64.0 -174.84 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.04 0.448 . . . . 0.0 111.876 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.579 ' HG3' ' HB3' ' A' 1572 ' ' ALA . 35.6 tt0 -69.1 157.93 35.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.011 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.448 ' C ' HD23 ' A' 1607 ' ' LEU . . . -75.03 -177.86 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' 1607 ' ' LEU . 3.0 mm? -120.99 123.92 43.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.63 139.95 57.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.47 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.594 HG13 ' HB2' ' A' 1616 ' ' ARG . 11.7 pt -139.69 -23.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.825 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.876 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 1.4 tmtp? 57.73 99.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1611 ' ' TYR . . . . . 0.567 ' HB3' ' HG3' ' A' 1616 ' ' ARG . 79.6 t80 -141.41 -48.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1612 ' ' ASN . . . . . 0.837 ' HB2' ' HD3' ' A' 1616 ' ' ARG . 14.8 m120 -116.57 147.49 41.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.629 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 64.02 -80.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1614 ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' 1610 ' ' LYS . 56.0 m -153.52 -16.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.876 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 15.0 p90 -173.92 147.46 1.31 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.837 ' HD3' ' HB2' ' A' 1612 ' ' ASN . 25.1 mmm180 -122.52 130.43 53.03 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -115.6 48.98 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.473 HD12 HD13 ' A' 1583 ' ' ILE . 44.0 pt -60.72 141.83 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.709 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.531 ' O ' ' HA ' ' A' 1582 ' ' PHE . 57.1 m-85 -90.44 132.16 36.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.179 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.32 -165.06 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.627 2.218 . . . . 0.0 112.223 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' 1584 ' ' LYS . 53.0 tp -152.65 101.34 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.52 ' O ' ' HA2' ' A' 1515 ' ' GLY . 10.0 m-20 -130.55 -170.0 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 62.6 p -74.0 -30.5 62.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.785 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.503 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.5 pt? -66.14 -13.74 60.66 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 110.82 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.426 ' HG1' ' H ' ' A' 1622 ' ' ASP . 73.0 m -68.94 115.39 8.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.555 ' HB3' ' HB2' ' A' 1602 ' ' MET . 62.5 t-105 -83.68 113.8 21.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.546 ' HA ' ' O ' ' A' 1600 ' ' LEU . 68.0 mt -131.13 129.83 63.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -148.95 118.67 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.443 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 74.9 t80 -50.46 138.0 18.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.431 ' CZ3' HD22 ' A' 1646 ' ' LEU . 9.9 t-105 -106.19 117.02 58.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.99 114.67 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.684 2.256 . . . . 0.0 112.618 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -60.42 -33.12 72.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -134.8 -169.28 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.022 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.689 HG23 HD13 ' A' 1643 ' ' LEU . 69.8 p -128.67 -31.25 2.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.256 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 73.0 p -97.25 -19.97 18.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.342 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 73.7 m -71.12 116.7 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.986 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 36.5 t 60.43 12.1 3.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.229 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.6 t 56.7 93.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 26.8 p -143.56 11.57 1.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.644 ' HB2' ' HB ' ' A' 1634 ' ' THR . 33.9 tt0 -63.21 -25.28 68.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.09 -21.76 61.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.299 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.437 ' O ' HD11 ' A' 1646 ' ' LEU . 34.4 t80 -84.03 -42.86 15.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.689 HD13 HG23 ' A' 1634 ' ' THR . 80.3 mt -73.88 3.03 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.21 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.62 -28.7 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.636 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -89.75 -39.36 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.566 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.519 HD12 HH22 ' A' 1530 ' ' ARG . 8.3 mp -70.61 -22.24 62.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.62 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.45 -45.64 91.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.18 -42.79 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.636 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.508 ' O ' HG22 ' A' 1653 ' ' ILE . 70.3 t80 -57.68 -35.71 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.812 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.66 -64.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.201 0.524 . . . . 0.0 111.463 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -69.73 -3.27 14.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.683 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -85.29 -72.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.515 HD12 ' HE3' ' A' 1531 ' ' LYS . 5.2 tp -57.43 -30.85 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 63.3 t80 -69.89 -53.59 17.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.6 tt -84.07 -68.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.639 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -60.81 -74.74 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.195 -179.684 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.47 ' HA2' HD13 ' A' 1653 ' ' ILE . . . 74.88 128.99 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.518 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.1 t -139.33 110.12 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.337 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 46.7 t60 -110.46 117.97 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.09 164.49 32.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1512 ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' 1588 ' ' CYS . . . -159.82 105.34 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.013 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.699 ' HB3' HD21 ' A' 1590 ' ' ASN . 4.5 p-10 -73.67 131.85 42.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.053 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.502 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 19.2 p -110.38 29.54 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.296 0.57 . . . . 0.0 110.315 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.699 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 152.2 73.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.148 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -51.38 103.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.836 0.351 . . . . 0.0 110.949 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 64.9 mtt -83.31 146.32 28.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.11 158.03 36.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.642 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 45.6 mt-10 -61.81 149.99 38.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.74 134.22 34.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 95.5 mt 58.44 19.09 6.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.264 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.642 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 30.0 t70 -64.41 100.6 0.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.419 HD23 ' HD1' ' A' 1642 ' ' PHE . 64.3 mt -93.4 92.8 7.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.217 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.9 t -178.05 -8.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.051 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.22 143.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 81.2 p -83.96 -179.91 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -99.2 0.49 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -98.02 -19.83 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.008 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 56.1 m -76.08 -33.22 59.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.405 ' NH1' HD21 ' A' 1646 ' ' LEU . 4.6 ptp180 -95.85 14.38 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' 1531 ' ' LYS . 7.3 tmtm? -119.91 -52.41 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -59.81 -26.04 65.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.68 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 45.3 m -81.97 -24.05 35.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.75 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.562 ' HB3' ' HE2' ' A' 1602 ' ' MET . . . -64.43 -46.04 84.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1535 ' ' CYS . . . . . 0.712 ' HA ' ' HE2' ' A' 1568 ' ' LYS . 38.1 t -90.36 5.49 47.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.723 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.68 ' HE2' ' HA ' ' A' 1533 ' ' THR . 24.3 ttmm -61.07 138.76 94.31 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.769 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.76 -22.02 16.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.596 2.198 . . . . 0.0 112.416 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.466 ' HG3' ' HE3' ' A' 1604 ' ' LYS . 40.2 tt0 -83.01 -31.2 27.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.898 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -97.37 117.26 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.006 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -82.36 -51.42 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.375 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.891 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.1 p90 -115.43 155.48 27.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.401 0.62 . . . . 0.0 112.199 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -144.86 104.51 4.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.517 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.665 ' HB2' ' O ' ' A' 1565 ' ' ASP . 0.6 OUTLIER -155.27 -175.75 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.117 0.484 . . . . 0.0 112.231 -178.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.569 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 19.9 ptpt -119.05 139.38 51.83 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.641 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.898 HG13 ' HA ' ' A' 1563 ' ' LEU . 16.0 m -139.29 175.83 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.183 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.401 ' CB ' HD11 ' A' 1564 ' ' LEU . 11.2 t -146.02 124.28 12.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' 1561 ' ' ALA . 37.3 mm -62.8 144.89 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.684 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 82.3 p -131.55 -41.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.576 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 42.4 t -131.81 160.66 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.975 0.417 . . . . 0.0 111.329 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 73.0 mt -134.31 114.54 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.748 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1551 ' ' THR . . . . . 0.461 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 70.8 m -102.05 136.69 41.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.244 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 5.2 p -132.58 132.05 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.768 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -133.8 -54.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.976 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 7.4 p30 -145.22 -153.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.606 HG11 HG23 ' A' 1586 ' ' VAL . 52.4 t -53.54 -19.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.561 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.52 106.25 17.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 31.8 t -81.54 155.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.616 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.762 ' HG2' HG22 ' A' 1583 ' ' ILE . 90.7 mttt -131.29 152.79 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 111.01 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.516 ' HH ' ' HZ1' ' A' 1584 ' ' LYS . 94.9 m-85 -138.97 120.8 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.737 ' HB2' ' HZ3' ' A' 1560 ' ' LYS . 0.1 OUTLIER -97.18 106.81 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.226 179.52 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' 1547 ' ' ILE . . . -118.07 170.79 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 111.641 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 8.2 m -114.38 135.29 54.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.974 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.898 ' HA ' HG13 ' A' 1545 ' ' VAL . 9.7 tp -77.46 95.5 4.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.569 ' HB2' ' HG3' ' A' 1544 ' ' LYS . 9.4 mp -50.72 -50.76 54.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.565 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.665 ' O ' ' HB2' ' A' 1543 ' ' TYR . 12.8 t70 -164.58 154.77 14.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.871 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.743 HG12 HD21 ' A' 1563 ' ' LEU . 48.6 mt -104.88 125.93 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.526 ' HB2' ' O ' ' A' 1542 ' ' ALA . 83.7 m-85 -104.69 -23.62 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' A' 1535 ' ' CYS . 27.5 mtpp -149.49 122.67 8.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.437 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1569 ' ' THR . . . . . 0.559 HG23 ' H ' ' A' 1571 ' ' GLU . 4.5 m -45.96 155.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.127 0.489 . . . . 0.0 112.062 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.891 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -103.81 6.17 47.87 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.011 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.559 ' H ' HG23 ' A' 1569 ' ' THR . 14.0 mm-40 59.2 7.79 0.95 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.978 0.418 . . . . 0.0 110.737 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.423 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -138.76 81.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.542 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.447 ' O ' HG21 ' A' 1573 ' ' VAL . 7.3 p 41.17 39.93 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.847 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.554 ' HB3' HD11 ' A' 1566 ' ' ILE . . . -59.01 128.61 38.1 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.222 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.52 ' HB3' ' OG ' ' A' 1578 ' ' SER . 9.1 tp10 -142.07 156.4 45.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.973 0.416 . . . . 0.0 111.339 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -67.72 122.83 18.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.416 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.654 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.1 t70 63.96 51.21 2.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.05 0.452 . . . . 0.0 110.782 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' 1563 ' ' LEU . 69.0 m -87.11 -170.22 2.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.599 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1579 ' ' GLU . . . . . 0.432 ' CD ' ' HD2' ' A' 1560 ' ' LYS . 9.0 tp10 -115.69 115.24 26.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.565 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.612 HD12 HG11 ' A' 1545 ' ' VAL . 37.4 pt -111.05 153.01 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.684 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.1 m -141.4 99.34 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.735 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.575 ' HE1' HD13 ' A' 1580 ' ' ILE . 56.9 m-85 -94.3 125.48 38.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 111.271 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.762 HG22 ' HG2' ' A' 1558 ' ' LYS . 42.0 pt -112.33 147.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.744 ' HB3' HD22 ' A' 1621 ' ' LEU . 21.8 pttm -145.72 -171.19 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -104.51 -177.03 3.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.643 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1586 ' ' VAL . . . . . 0.606 HG23 HG11 ' A' 1555 ' ' VAL . 29.1 m -105.18 9.58 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.1 p -98.66 -0.93 41.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' 1512 ' ' ALA . 13.6 m -60.97 153.88 23.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 58.3 m -138.28 -29.9 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.699 HD21 ' HB3' ' A' 1513 ' ' ASP . 37.0 m-80 -108.8 0.43 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -121.42 111.92 17.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -149.94 105.54 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.758 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' 1593 ' ' LEU . 4.0 mp -91.13 158.83 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.458 HG13 ' OH ' ' A' 1599 ' ' TYR . 9.9 p -142.76 140.03 27.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 22.9 pttm -71.17 136.6 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 108.15 -22.64 26.88 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.678 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -99.37 169.83 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.977 0.418 . . . . 0.0 111.346 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -109.39 145.57 35.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.716 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.458 ' OH ' HG13 ' A' 1594 ' ' VAL . 98.1 m-85 -143.5 144.2 31.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.009 0.433 . . . . 0.0 111.415 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' 1601 ' ' ILE . 5.2 tt -95.12 134.68 37.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.746 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.611 ' N ' HD23 ' A' 1600 ' ' LEU . 69.3 mt -127.91 132.85 68.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.088 0.471 . . . . 0.0 112.19 -179.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.675 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 66.3 mtp -149.6 110.65 4.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.064 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.898 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.59 -164.27 31.24 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 119.803 -1.189 . . . . 0.0 113.681 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.466 ' HE3' ' HG3' ' A' 1538 ' ' GLU . 34.1 mmtp -46.25 157.09 0.14 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 122.545 0.338 . . . . 0.0 111.565 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -171.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.201 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.487 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . -104.65 140.34 38.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' 1617 ' ' TYR . 89.0 mt -66.41 147.73 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.606 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -104.66 -11.61 16.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.666 ' HA ' ' HB2' ' A' 1615 ' ' PHE . 13.9 pt -122.58 97.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 0.0 111.567 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.877 ' HD3' HG12 ' A' 1618 ' ' ILE . 27.6 tptp -93.4 2.37 56.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.472 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 91.9 m-85 66.12 -172.29 0.19 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.715 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1612 ' ' ASN . . . . . 0.442 ' O ' ' HB3' ' A' 1613 ' ' ALA . 27.3 t-20 62.59 110.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1613 ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' 1612 ' ' ASN . . . 74.87 -62.85 0.44 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.152 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 32.8 p -153.56 -79.27 0.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.841 0.353 . . . . 0.0 111.225 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.666 ' HB2' ' HA ' ' A' 1609 ' ' ILE . 48.3 p90 -174.28 153.12 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.715 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.614 ' H ' ' H ' ' A' 1610 ' ' LYS . 76.7 ttt180 -144.3 146.92 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.693 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' 1607 ' ' LEU . 2.3 m-85 -90.83 105.27 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.877 HG12 ' HD3' ' A' 1610 ' ' LYS . 2.8 pp -117.02 177.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' 1582 ' ' PHE . 57.1 m-85 -128.09 128.72 23.73 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.191 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.44 157.72 22.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.666 2.244 . . . . 0.0 112.166 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.744 HD22 ' HB3' ' A' 1584 ' ' LYS . 48.7 tp -132.7 92.76 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.669 ' HB2' HD13 ' A' 1624 ' ' LEU . 10.2 m-20 -121.7 -167.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1623 ' ' SER . . . . . 0.699 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 77.5 p -78.8 -23.16 45.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.849 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -76.13 -8.6 57.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 -179.746 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.628 ' N ' HD12 ' A' 1624 ' ' LEU . 60.5 m -84.24 112.36 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.187 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.675 ' HB3' ' HB2' ' A' 1602 ' ' MET . 57.9 t-105 -64.28 119.72 10.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.746 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.462 ' HA ' ' O ' ' A' 1600 ' ' LEU . 45.5 mm -126.81 120.58 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -134.95 115.27 13.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -54.05 134.23 43.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.745 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.424 ' CD1' HD12 ' A' 1643 ' ' LEU . 13.5 t-105 -106.03 101.77 35.74 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.647 ' HB2' HD13 ' A' 1643 ' ' LEU . 72.9 Cg_exo -48.7 118.86 3.69 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.679 2.252 . . . . 0.0 112.599 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -91.7 -0.1 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1633 ' ' ASP . . . . . 0.58 ' HB2' ' HB2' ' A' 1639 ' ' CYS . 9.9 m-20 -97.94 128.49 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.312 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 31.3 p -146.67 0.38 0.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 78.0 p -74.25 -35.63 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.305 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 83.9 m -122.14 148.62 44.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.1 t -67.56 97.7 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 45.7 t -167.61 -59.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.59 ' HB3' ' HB3' ' A' 1631 ' ' PRO . 83.5 m -95.85 -21.33 18.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -63.03 -26.07 68.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -58.33 -28.1 64.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.517 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 52.9 t80 -88.44 -30.84 19.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.759 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.756 HD11 HD13 ' A' 1646 ' ' LEU . 1.1 tp -75.91 -6.11 49.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -81.4 -33.45 32.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -80.2 -28.46 38.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.444 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.756 HD13 HD11 ' A' 1643 ' ' LEU . 95.9 mt -70.68 -31.02 67.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.527 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.16 -36.64 80.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.15 -49.4 77.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.604 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' 1653 ' ' ILE . 62.3 t80 -63.77 -34.96 79.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.765 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.97 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.208 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -103.69 -4.5 23.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.7 t70 -89.26 -18.21 27.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.96 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' 1649 ' ' PHE . 20.0 tt -112.01 -27.69 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.8 t80 -74.32 -46.02 43.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.453 ' O ' HD23 ' A' 1655 ' ' LEU . 5.9 tt -78.51 -45.54 21.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.553 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.639 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -85.63 -74.5 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.286 -179.478 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.01 158.84 21.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.437 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.889 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.3 p -91.45 146.12 24.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.4 m80 -83.1 140.41 32.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 86.2 mtp -133.3 145.92 50.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -137.47 125.37 22.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.43 -67.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.999 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' 1588 ' ' CYS . 8.7 t 54.92 30.96 14.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.395 0.617 . . . . 0.0 110.287 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 123.84 55.93 0.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.048 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -52.47 132.19 34.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.869 0.366 . . . . 0.0 111.299 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' 1515 ' ' GLY . 66.3 mtt -128.96 133.5 47.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.82 150.25 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.29 172.48 2.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.08 119.25 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 90.3 mt 60.29 99.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.232 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.68 104.66 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.527 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.496 HD21 ' HD1' ' A' 1642 ' ' PHE . 65.6 mt -83.32 17.17 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 54.4 p -90.9 2.42 56.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.8 mt -123.87 138.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.0 m -89.64 167.71 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1527 ' ' ALA . . . . . 0.665 ' HA ' HH11 ' A' 1530 ' ' ARG . . . -70.22 -32.77 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.181 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.81 -2.79 58.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 91.8 m -74.71 -49.41 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.691 ' H ' ' HD2' ' A' 1530 ' ' ARG . 0.0 OUTLIER -83.02 -15.24 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.725 ' HE3' HD12 ' A' 1653 ' ' ILE . 21.2 tptm -68.32 -31.27 70.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -59.51 -15.48 18.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.684 HG22 HG13 ' A' 1539 ' ' ILE . 88.9 m -89.28 -41.55 12.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.926 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.857 ' HB2' ' HE2' ' A' 1602 ' ' MET . . . -67.6 -7.12 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.553 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 44.3 t -101.88 -17.27 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.113 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.668 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.9 mtmt -63.41 142.92 97.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.34 -30.4 87.61 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.599 2.2 . . . . 0.0 112.452 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.494 ' HG3' ' H ' ' A' 1539 ' ' ILE . 7.9 pt-20 -63.68 -55.72 21.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.684 HG13 HG22 ' A' 1533 ' ' THR . 41.5 mm -62.68 111.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.459 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -84.81 -58.35 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.483 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.407 ' HB2' ' CE2' ' A' 1543 ' ' TYR . 2.0 p90 -105.91 156.95 17.85 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.303 0.573 . . . . 0.0 112.107 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.66 101.11 2.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.821 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.631 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.1 p90 -152.55 169.73 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.139 0.495 . . . . 0.0 111.976 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.662 ' HG2' HD13 ' A' 1564 ' ' LEU . 37.6 ttpt -99.64 140.15 34.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.409 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.859 HG11 ' HA ' ' A' 1563 ' ' LEU . 18.8 m -136.56 -177.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.979 0.419 . . . . 0.0 111.547 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' 1564 ' ' LEU . 20.8 t -155.04 120.92 5.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.602 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.595 HD12 ' HB1' ' A' 1561 ' ' ALA . 35.2 mm -56.7 134.74 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1548 ' ' THR . . . . . 0.484 ' O ' ' HE2' ' A' 1595 ' ' LYS . 39.1 p -129.19 -16.95 3.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.507 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 63.8 m -154.01 144.78 22.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 0.0 111.36 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.0 mt -137.54 128.76 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.832 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 63.3 m -133.68 141.21 47.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.5 p -123.93 140.09 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -107.8 -74.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.7 m120 -142.97 -73.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 39.3 t -102.42 -45.77 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -89.36 158.55 17.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 44.7 t -128.55 140.1 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.271 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.67 ' HD3' HG21 ' A' 1583 ' ' ILE . 23.0 mmtp -104.88 124.27 49.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.795 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.457 ' HB2' ' O ' ' A' 1582 ' ' PHE . 96.3 m-85 -116.13 113.26 22.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.337 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.639 ' HZ2' ' HB3' ' A' 1579 ' ' GLU . 18.9 mmtt -93.4 99.91 12.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.595 ' HB1' HD12 ' A' 1547 ' ' ILE . . . -108.33 146.77 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.433 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 12.5 m -97.29 132.88 42.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.039 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.859 ' HA ' HG11 ' A' 1545 ' ' VAL . 10.4 tt -73.14 101.48 3.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.431 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.662 HD13 ' HG2' ' A' 1544 ' ' LYS . 83.8 mt -57.93 -44.05 86.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.168 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' 1543 ' ' TYR . 14.3 t70 -170.15 150.58 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.58 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.631 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 67.1 mt -97.2 138.16 22.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.567 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 43.7 m-85 -116.65 -20.13 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.0 tmtt? -155.55 99.79 2.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.252 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 89.5 m -40.84 141.81 0.54 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.301 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.685 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -90.34 132.65 11.39 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.012 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.64 -22.44 63.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.815 0.34 . . . . 0.0 110.955 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -73.18 -89.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.321 0.581 . . . . 0.0 110.798 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' 1573 ' ' VAL . 8.7 p -155.17 35.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.767 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.685 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -67.27 123.6 20.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' 1578 ' ' SER . 46.9 mt-10 -134.86 158.29 44.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 62.2 tttm -58.42 134.05 56.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.684 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.639 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.1 p30 44.88 36.26 1.82 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.603 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.512 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 79.0 p -82.65 -165.97 1.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1579 ' ' GLU . . . . . 0.639 ' HB3' ' HZ2' ' A' 1560 ' ' LYS . 42.6 mt-10 -121.41 122.92 40.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.792 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.722 HD12 HG12 ' A' 1545 ' ' VAL . 8.5 pt -125.73 136.9 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1581 ' ' THR . . . . . 0.56 ' HG1' ' HE2' ' A' 1560 ' ' LYS . 9.1 m -110.85 105.96 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.632 -179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.635 ' HB3' HD11 ' A' 1621 ' ' LEU . 35.8 m-85 -102.64 119.76 39.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.282 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.67 HG21 ' HD3' ' A' 1558 ' ' LYS . 29.4 pt -102.2 149.52 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.952 0.406 . . . . 0.0 111.466 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.521 ' HZ3' HD13 ' A' 1593 ' ' LEU . 36.6 ttpt -141.29 147.58 38.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.787 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.71 ' HZ3' ' HB2' ' A' 1585 ' ' LYS . 10.6 mtmp? -86.53 140.8 29.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.7 p -72.1 -7.12 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.023 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 75.8 p -76.84 -12.48 59.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.441 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' 1514 ' ' CYS . 56.6 m -66.85 178.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 0.0 111.015 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 74.9 m -145.8 -43.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 18.9 m120 -86.56 4.42 40.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -116.85 129.55 56.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1592 ' ' GLU . . . . . 0.438 ' HA ' ' NZ ' ' A' 1584 ' ' LYS . 40.9 tt0 -163.53 102.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.521 HD13 ' HZ3' ' A' 1584 ' ' LYS . 4.4 mp -88.43 164.41 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.505 HG12 ' OH ' ' A' 1599 ' ' TYR . 12.2 p -144.42 146.7 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.484 ' HE2' ' O ' ' A' 1548 ' ' THR . 57.9 tttm -80.58 134.78 35.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 104.99 -16.02 47.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.714 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.412 ' HB2' HG11 ' A' 1594 ' ' VAL . 10.9 mpt_? -99.48 172.7 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.969 0.414 . . . . 0.0 111.376 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -114.41 146.98 39.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.819 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.505 ' OH ' HG12 ' A' 1594 ' ' VAL . 96.8 m-85 -142.08 127.54 18.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.287 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' 1543 ' ' TYR . 56.9 tp -82.78 107.79 15.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.985 179.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.464 HG23 ' CZ ' ' A' 1582 ' ' PHE . 58.7 mt -95.2 132.96 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.266 0.555 . . . . 0.0 112.056 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.857 ' HE2' ' HB2' ' A' 1534 ' ' ALA . 61.8 mtp -147.55 107.98 4.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.802 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.582 ' HA2' HD13 ' A' 1539 ' ' ILE . . . -158.42 -174.85 28.66 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.116 -1.04 . . . . 0.0 113.523 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.434 ' HA ' ' H ' ' A' 1540 ' ' ALA . 12.5 mtmt -62.31 -172.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.114 0.483 . . . . 0.0 111.495 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -74.71 148.17 40.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.41 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -74.45 152.4 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.514 HD23 ' HD3' ' A' 1620 ' ' PRO . 3.9 mm? -63.78 -168.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.637 ' C ' HD13 ' A' 1609 ' ' ILE . 3.8 pt20 -150.98 134.06 15.98 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.169 0.509 . . . . 0.0 111.826 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.818 ' HA ' ' HA ' ' A' 1616 ' ' ARG . 0.2 OUTLIER 38.29 -171.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.537 178.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.857 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 66.7 mttm -57.67 111.81 1.25 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.91 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -141.91 96.39 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 13.8 m120 61.13 -83.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.289 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -97.49 -27.73 14.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 53.8 m -81.47 163.48 22.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.857 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 99.3 m-85 -144.94 25.97 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.729 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.818 ' HA ' ' HA ' ' A' 1609 ' ' ILE . 38.5 ptt180 164.52 178.56 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.453 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.578 ' HE1' HG23 ' A' 1609 ' ' ILE . 3.8 m-85 -72.03 84.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.798 0.333 . . . . 0.0 110.787 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.591 HG22 ' HG3' ' A' 1616 ' ' ARG . 43.5 pt -106.64 177.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 14.6 m-85 -125.73 114.58 24.8 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.808 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1620 ' ' PRO . . . . . 0.514 ' HD3' HD23 ' A' 1607 ' ' LEU . 73.5 Cg_endo -75.54 167.08 27.28 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.665 2.244 . . . . 0.0 112.826 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' 1582 ' ' PHE . 82.6 mt -145.62 100.19 3.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.76 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -114.94 -76.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 73.1 p -169.18 -19.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' 1625 ' ' THR . 0.0 OUTLIER -73.96 -11.72 60.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.555 ' N ' HD12 ' A' 1624 ' ' LEU . 69.1 m -91.52 113.46 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -66.23 123.25 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 64.9 mt -124.45 126.84 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.792 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.36 113.21 10.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.862 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 74.8 t80 -55.22 134.71 49.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -104.6 106.83 56.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.607 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.669 ' HB2' HD13 ' A' 1643 ' ' LEU . 59.2 Cg_exo -51.88 109.88 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.527 2.151 . . . . 0.0 112.409 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -82.11 -30.97 30.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -72.51 114.37 10.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.8 p -135.17 10.71 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 60.2 p -141.49 76.71 1.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.9 t -124.88 -74.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 77.8 p -169.11 -61.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 38.1 t -113.8 8.13 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 5.1 t -72.21 -158.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.569 ' HA ' HD21 ' A' 1643 ' ' LEU . 36.1 tt0 55.85 85.71 0.07 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.942 0.401 . . . . 0.0 111.063 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -149.28 -33.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.756 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.496 ' HD1' HD21 ' A' 1523 ' ' LEU . 88.5 t80 -91.08 -20.78 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.679 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' 1631 ' ' PRO . 2.6 mm? -67.97 -35.79 78.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.65 75.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -74.92 -19.21 60.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.97 -33.42 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -60.84 -32.33 71.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.678 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -66.38 -32.07 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.415 ' O ' HG22 ' A' 1653 ' ' ILE . 80.8 t80 -69.71 -28.01 65.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -67.09 -49.02 66.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.318 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -80.05 -4.39 52.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.123 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.65 ' HA ' HD21 ' A' 1656 ' ' ASN . 18.5 t70 -95.58 -16.3 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.725 HD12 ' HE3' ' A' 1531 ' ' LYS . 6.9 tp -105.33 -28.81 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.035 0.445 . . . . 0.0 110.684 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.3 t80 -81.66 -44.3 17.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.29 -70.29 0.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.65 HD21 ' HA ' ' A' 1652 ' ' ASP . 17.3 m-80 -58.04 -59.35 5.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.513 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 60.14 42.31 98.5 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.384 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.224 -179.716 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 79.2 p -146.96 -51.67 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.79 0.329 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -130.48 157.3 43.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.5 mmt 57.71 -166.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.989 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -129.73 151.76 49.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.62 ' O ' ' HB3' ' A' 1590 ' ' ASN . 3.7 p-10 -91.66 -24.06 19.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.414 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.597 ' HB2' ' HA ' ' A' 1588 ' ' CYS . 12.0 t 53.73 -153.9 0.26 Allowed 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . -61.88 80.63 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.158 -1.02 . . . . 0.0 111.377 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' 1514 ' ' CYS . 3.5 pp0? -47.22 139.23 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 111.119 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.525 ' HG2' ' HB ' ' A' 1627 ' ' ILE . 63.9 mtt -124.38 141.84 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -81.94 171.21 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.34 176.06 1.96 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.97 -85.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 74.6 mt -105.98 99.76 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -147.94 96.68 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.598 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 36.1 mt -70.69 100.56 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 7.5 t -168.47 -21.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.9 mt -89.78 133.44 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.5 t -77.03 157.71 30.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.42 -14.8 58.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -87.44 -33.89 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 46.2 m -59.22 -25.19 63.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.476 ' O ' ' HE2' ' A' 1602 ' ' MET . 84.5 mtt180 -91.08 -41.09 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.544 ' O ' ' HD3' ' A' 1531 ' ' LYS . 11.8 tmtt? -61.87 -37.84 86.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.066 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' 1528 ' ' GLU . 30.3 mm-40 -58.97 -17.84 28.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.781 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.688 ' HA ' ' HG3' ' A' 1536 ' ' LYS . 37.6 m -85.97 -26.84 25.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.623 ' HB3' ' HE3' ' A' 1602 ' ' MET . . . -70.75 1.82 4.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.454 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 39.5 t -126.91 -3.72 6.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.688 ' HG3' ' HA ' ' A' 1533 ' ' THR . 98.4 mttt -64.28 151.2 91.33 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.38 -27.65 47.2 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.54 2.16 . . . . 0.0 112.236 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.417 ' O ' HD13 ' A' 1539 ' ' ILE . 11.5 pt-20 -85.55 9.52 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.777 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.496 HD11 ' HA2' ' A' 1603 ' ' GLY . 34.8 mm -124.85 120.44 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -90.55 -61.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.726 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.911 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.6 p90 -108.28 159.71 16.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.282 0.563 . . . . 0.0 112.206 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.541 ' HA ' ' HG2' ' A' 1602 ' ' MET . . . -144.96 90.6 2.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.815 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.784 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.2 p90 -144.28 -171.85 3.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.257 0.551 . . . . 0.0 112.068 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -132.81 132.42 42.17 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.029 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.834 HG13 ' HA ' ' A' 1563 ' ' LEU . 20.9 m -127.86 -177.35 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.068 0.461 . . . . 0.0 111.724 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 22.5 t -141.77 123.64 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.483 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.42 HD13 HD11 ' A' 1593 ' ' LEU . 38.3 mm -61.3 135.83 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 44.2 p -132.42 -31.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.25 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.579 ' HA ' ' HE2' ' A' 1595 ' ' LYS . 73.4 m -140.73 141.34 34.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 72.4 mt -131.51 125.48 56.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.849 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.3 m -128.68 136.74 51.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.588 HG22 HG21 ' A' 1557 ' ' VAL . 38.2 t -118.12 128.73 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.051 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -90.71 -68.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1554 ' ' ASN . . . . . 0.489 ' ND2' HG21 ' A' 1555 ' ' VAL . 10.5 t30 -163.37 -71.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.874 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.489 HG21 ' ND2' ' A' 1554 ' ' ASN . 39.7 t -99.94 -43.01 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -101.73 112.25 24.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.796 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.588 HG21 HG22 ' A' 1552 ' ' VAL . 10.1 p -84.94 151.36 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.723 ' HB2' ' HZ2' ' A' 1558 ' ' LYS . 10.5 mtmp? -124.81 149.65 47.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.383 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -133.29 106.82 7.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.405 ' HG2' HG21 ' A' 1581 ' ' THR . 60.9 mttp -88.08 121.65 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -136.79 167.39 21.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.33 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.9 m -104.57 141.29 36.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.184 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.834 ' HA ' HG13 ' A' 1545 ' ' VAL . 10.4 mt -73.63 124.65 26.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.974 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' 1545 ' ' VAL . 10.8 mp -88.48 -35.68 16.88 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.315 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.5 t70 -174.29 130.46 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.784 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 68.5 mt -103.9 120.32 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.818 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -92.68 -25.57 18.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.353 0.597 . . . . 0.0 109.647 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 62.2 tttp -141.13 116.84 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.56 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 20.3 m -45.88 149.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 111.916 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.911 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -86.56 16.81 43.12 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.969 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 55.99 9.42 0.46 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.2 0.524 . . . . 0.0 110.26 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -136.4 -148.14 0.28 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.8 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' 1573 ' ' VAL . 7.7 p -77.96 34.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.206 0.527 . . . . 0.0 111.272 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.625 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -82.48 125.29 30.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.257 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.41 ' C ' HD11 ' A' 1566 ' ' ILE . 15.8 mm-40 -148.58 163.11 38.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.047 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 61.1 tttm -52.96 106.52 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.689 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.7 t70 64.83 82.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.833 ' H ' ' HB2' ' A' 1563 ' ' LEU . 54.8 m -129.18 -174.33 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.407 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -108.72 115.09 29.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 110.431 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.685 HD11 HG11 ' A' 1545 ' ' VAL . 8.9 pt -127.22 137.49 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.442 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1581 ' ' THR . . . . . 0.459 HG23 ' NH2' ' A' 1616 ' ' ARG . 35.1 m -115.42 113.62 23.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.072 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.457 ' HE1' HD13 ' A' 1580 ' ' ILE . 39.9 m-85 -87.65 174.15 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.692 HG21 ' HA ' ' A' 1620 ' ' PRO . 9.0 tt -153.95 107.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.785 ' HB2' HD12 ' A' 1621 ' ' LEU . 39.0 ttpt -96.15 148.78 22.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.448 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 75.9 mmtt -75.28 -177.77 3.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.7 p -99.31 -27.2 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 69.6 p -72.45 -10.99 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.597 ' HA ' ' HB2' ' A' 1514 ' ' CYS . 57.3 m -60.43 121.83 13.07 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1589 ' ' THR . . . . . 0.462 HG22 ' O ' ' A' 1589 ' ' THR . 8.8 m -121.23 7.1 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.403 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.62 ' HB3' ' O ' ' A' 1513 ' ' ASP . 2.9 t-20 -130.11 -21.73 2.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.178 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -89.07 122.45 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.286 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.59 142.61 23.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.42 HD11 HD13 ' A' 1547 ' ' ILE . 93.8 mt -132.56 163.49 28.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.739 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 59.2 t -132.41 140.04 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.834 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.3 ttmt -72.76 125.81 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 103.36 -5.53 48.89 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.734 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.739 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 90.8 mtt180 -101.0 173.11 6.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.058 0.456 . . . . 0.0 111.396 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -120.97 137.2 54.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.75 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -139.41 145.86 39.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.442 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' 1627 ' ' ILE . 51.5 tp -90.63 120.01 31.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.912 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.551 HG21 ' HE1' ' A' 1541 ' ' TYR . 61.7 mt -114.84 134.58 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.066 0.46 . . . . 0.0 112.015 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.623 ' HE3' ' HB3' ' A' 1534 ' ' ALA . 66.8 mtp -148.87 111.49 4.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.111 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.496 ' HA2' HD11 ' A' 1539 ' ' ILE . . . 178.47 -169.61 41.31 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.083 -1.056 . . . . 0.0 113.294 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.725 ' HB3' ' HZ3' ' A' 1604 ' ' LYS . 4.2 mmmp? -50.61 154.99 1.19 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.902 0.382 . . . . 0.0 111.551 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 13.6 pt-20 -78.3 -169.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.245 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.417 ' HB1' ' CE2' ' A' 1619 ' ' TYR . . . -85.12 156.77 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.084 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' 1617 ' ' TYR . 3.8 mm? -88.5 130.08 35.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.478 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 64.8 tt0 -66.93 -9.73 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.716 HG22 ' HD1' ' A' 1615 ' ' PHE . 14.6 pt -149.44 81.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.119 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.458 ' HB3' HG13 ' A' 1618 ' ' ILE . 26.8 tptp -108.03 -6.96 16.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.788 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1611 ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' 1614 ' ' SER . 0.5 OUTLIER -89.27 173.13 8.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.62 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -67.57 -43.69 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.041 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -165.29 -8.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1614 ' ' SER . . . . . 0.446 ' HB3' ' CD2' ' A' 1611 ' ' TYR . 47.5 t -83.02 -9.86 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.716 ' HD1' HG22 ' A' 1609 ' ' ILE . 55.6 m-85 64.98 136.56 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.498 ' HD3' HD12 ' A' 1618 ' ' ILE . 75.2 ttt180 -169.33 136.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.478 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 1.9 m-85 -87.93 94.82 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.232 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.498 HD12 ' HD3' ' A' 1616 ' ' ARG . 1.7 mt -112.44 148.75 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 111.34 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.417 ' CE2' ' HB1' ' A' 1606 ' ' ALA . 53.7 m-85 -102.11 104.54 37.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.65 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1620 ' ' PRO . . . . . 0.692 ' HA ' HG21 ' A' 1583 ' ' ILE . 54.4 Cg_endo -68.12 171.54 12.41 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.495 2.13 . . . . 0.0 112.137 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.785 HD12 ' HB2' ' A' 1584 ' ' LYS . 94.7 mt -136.81 96.83 3.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.467 ' HB2' ' HG ' ' A' 1624 ' ' LEU . 10.0 m-20 -118.95 -178.99 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.584 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1623 ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' 1514 ' ' CYS . 56.0 p -61.82 -10.27 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' A' 1622 ' ' ASP . 2.2 pp -90.52 10.26 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.5 m -107.3 137.05 46.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.996 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.411 ' O ' ' HA ' ' A' 1601 ' ' ILE . 65.2 t-105 -103.9 115.44 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.525 ' HB ' ' HG2' ' A' 1517 ' ' MET . 68.7 mt -132.11 118.26 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -128.1 141.2 51.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.577 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 58.4 t80 -65.59 136.18 56.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -109.51 112.96 58.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.55 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.522 ' HB2' HD11 ' A' 1643 ' ' LEU . 55.3 Cg_exo -52.5 116.45 2.86 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.592 2.194 . . . . 0.0 112.316 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -84.75 -31.92 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.045 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.16 113.19 15.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.508 ' HB ' HE21 ' A' 1640 ' ' GLN . 68.6 p -142.59 8.44 1.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 5.0 t -59.26 -41.0 87.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.282 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.401 ' O ' ' HG3' ' A' 1640 ' ' GLN . 29.5 p -97.46 150.36 21.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 43.0 t -74.99 -1.48 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 80.1 p -98.94 12.3 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.996 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 24.1 t -141.57 24.28 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.821 ' HA ' HD23 ' A' 1643 ' ' LEU . 28.7 mt-30 -119.28 16.06 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.18 -53.54 43.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 62.8 t80 -65.71 -31.48 72.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.821 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -69.81 -22.96 63.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.747 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.93 63.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.06 -23.28 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.57 -23.38 32.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.31 -40.63 96.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.6 -18.09 62.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.701 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.51 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 58.7 t80 -84.61 -39.6 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.072 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.18 13.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.413 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.17 -31.82 70.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.326 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.75 -68.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.447 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.522 HD12 ' HE2' ' A' 1531 ' ' LYS . 7.9 tp -55.97 -30.13 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.73 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 58.5 t80 -76.66 -48.82 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.931 0.396 . . . . 0.0 111.352 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.03 -67.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.107 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.645 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -61.41 -74.78 0.08 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.394 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 76.37 157.17 7.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.357 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1658 ' ' CYS . . . . . 0.541 ' HB2' ' HZ2' ' A' 1531 ' ' LYS . 49.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.3 p -99.39 -1.75 37.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 14.5 p80 -135.65 161.59 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 25.5 ptm -145.95 153.91 41.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -120.37 174.44 6.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.78 34.94 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.463 ' O ' ' HB3' ' A' 1588 ' ' CYS . 3.6 p -48.06 120.8 3.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.388 . . . . 0.0 110.438 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 74.89 34.9 51.88 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.67 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.565 ' HG3' ' HA ' ' A' 1623 ' ' SER . 4.2 pp0? -54.32 160.14 1.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.19 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.43 ' HE3' ' HA ' ' A' 1591 ' ' ALA . 15.5 ptp -135.51 138.47 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -71.26 178.19 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.92 153.29 29.63 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1520 ' ' GLU . . . . . 0.482 ' HG3' ' HD2' ' A' 1629 ' ' TYR . 41.0 tt0 -71.61 -33.7 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 93.4 mt -147.7 105.21 3.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -142.66 129.52 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 90.3 mt -91.89 10.97 26.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 72.3 p -77.13 -9.52 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 65.4 mt -111.77 129.41 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.5 m -103.15 -178.19 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -85.42 0.18 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.9 mt-10 -105.31 -52.91 2.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 34.5 m -62.5 -19.5 63.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -95.13 -25.49 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.3 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.516 ' O ' ' HD3' ' A' 1531 ' ' LYS . 3.3 tmtp? -81.79 -45.3 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' 1528 ' ' GLU . 17.0 mm-40 -54.49 -26.17 29.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.784 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.782 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 91.8 m -81.54 -33.17 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -69.69 -9.87 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.2 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 50.7 t -98.43 -25.31 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.782 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.3 mtmt -63.1 155.14 74.7 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1537 ' ' PRO . . . . . 0.462 ' HG2' ' OE1' ' A' 1538 ' ' GLU . 29.0 Cg_endo -63.2 -12.26 29.32 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.483 2.122 . . . . 0.0 112.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.462 ' OE1' ' HG2' ' A' 1537 ' ' PRO . 0.3 OUTLIER -69.27 -22.87 63.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.451 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.584 HG23 ' HG2' ' A' 1602 ' ' MET . 13.4 mm -118.84 111.39 33.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.416 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -79.3 -53.28 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.001 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.459 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 3.3 p90 -116.76 155.86 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 111.589 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1542 ' ' ALA . . . . . . . . . . . . . . . -145.82 100.58 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.086 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.736 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 12.6 p90 -150.84 -179.07 6.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.293 0.568 . . . . 0.0 112.013 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' 1564 ' ' LEU . 60.2 tttm -123.08 136.95 55.02 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.484 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.796 HG11 ' HA ' ' A' 1563 ' ' LEU . 11.6 m -132.56 -175.91 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 18.0 t -145.5 127.86 15.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.5 mm -66.6 137.6 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1548 ' ' THR . . . . . 0.519 HG21 ' HA ' ' A' 1561 ' ' ALA . 4.2 t -130.38 -18.02 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.465 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.802 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 49.5 m -152.04 144.34 24.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.52 HG13 ' HB3' ' A' 1595 ' ' LYS . 77.3 mt -131.25 138.15 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.2 m -135.38 109.03 7.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 33.7 t -95.77 122.68 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1553 ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' 1556 ' ' PHE . 38.7 tt0 -106.62 163.49 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -58.3 -18.52 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.331 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 71.8 t -126.41 -76.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.415 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.439 ' O ' ' HB3' ' A' 1553 ' ' GLU . 97.0 m-85 -82.73 178.19 8.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.348 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.527 ' HB ' ' HG2' ' A' 1584 ' ' LYS . 11.8 t -136.59 111.66 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' 1558 ' ' LYS . 0.8 OUTLIER -90.42 124.11 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.674 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.484 ' HE2' ' HE3' ' A' 1584 ' ' LYS . 37.3 m-85 -114.41 114.76 26.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.89 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.802 ' HB3' ' HB2' ' A' 1549 ' ' SER . 42.6 tptt -97.98 115.53 28.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.428 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.519 ' HA ' HG21 ' A' 1548 ' ' THR . . . -135.62 165.79 24.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 0.0 111.541 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -114.87 135.52 54.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.852 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.796 ' HA ' HG11 ' A' 1545 ' ' VAL . 6.3 tt -70.25 134.5 48.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.583 HD11 ' HA ' ' A' 1545 ' ' VAL . 8.9 mp -91.8 -50.55 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.788 0.328 . . . . 0.0 110.813 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.3 t70 -164.61 141.22 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.644 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.736 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.0 mt -99.18 121.99 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 111.922 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.612 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 95.5 m-85 -93.74 -19.68 20.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.558 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -149.72 110.21 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.685 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 88.2 m -43.69 145.51 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.1 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.736 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -103.84 135.17 12.26 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.311 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.79 -30.33 63.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.708 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -84.95 56.94 4.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.284 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' 1573 ' ' VAL . 7.4 p 38.68 75.27 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.689 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.736 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -93.72 137.04 33.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.583 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -139.98 143.68 36.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.695 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.37 129.02 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.725 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.716 ' HA ' ' O ' ' A' 1563 ' ' LEU . 16.3 t70 64.39 38.7 7.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.464 ' H ' ' HB3' ' A' 1563 ' ' LEU . 24.4 t -87.44 -167.25 1.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.473 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -110.74 129.94 55.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.654 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.723 HD13 ' HE1' ' A' 1582 ' ' PHE . 35.9 pt -128.26 145.02 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.581 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 21.9 m -137.27 100.91 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.826 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.723 ' HE1' HD13 ' A' 1580 ' ' ILE . 81.6 m-85 -93.2 121.01 34.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.021 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' 1557 ' ' VAL . 41.1 pt -112.27 144.71 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.578 ' HD3' ' HB2' ' A' 1588 ' ' CYS . 19.5 ptpt -141.88 -169.08 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.638 ' HZ2' ' HB2' ' A' 1585 ' ' LYS . 0.2 OUTLIER -109.2 176.92 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.687 179.537 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.1 p -78.01 -25.57 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.301 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.1 p -75.51 -8.84 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.39 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.578 ' HB2' ' HD3' ' A' 1584 ' ' LYS . 17.9 m -81.99 35.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.132 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 37.8 m -59.91 -22.43 62.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -54.76 -30.31 56.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.522 ' HB3' ' HZ3' ' A' 1584 ' ' LYS . . . -103.0 120.94 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.78 99.51 4.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' 1593 ' ' LEU . 3.9 mp -95.71 174.99 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.586 ' HB ' ' HD3' ' A' 1597 ' ' ARG . 49.1 t -133.4 136.4 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.52 ' HB3' HG13 ' A' 1550 ' ' ILE . 13.3 ptmm? -70.03 116.3 10.24 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 117.18 -8.07 16.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.586 ' HD3' ' HB ' ' A' 1594 ' ' VAL . 10.6 mpt_? -94.56 173.3 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.411 . . . . 0.0 111.18 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.571 ' HG3' HH21 ' A' 1632 ' ' ARG . 21.9 mt-30 -112.58 133.47 54.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.547 ' HH ' ' H ' ' A' 1594 ' ' VAL . 88.5 m-85 -133.54 149.97 51.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.364 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' 1601 ' ' ILE . 2.2 tm? -95.82 130.82 42.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.984 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.755 HD13 HG23 ' A' 1545 ' ' VAL . 2.2 mp -120.84 131.78 72.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.029 0.443 . . . . 0.0 111.354 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.584 ' HG2' HG23 ' A' 1539 ' ' ILE . 3.7 ttp -152.7 129.19 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.442 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.557 ' N ' HG21 ' A' 1539 ' ' ILE . . . 163.0 -168.93 38.0 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 119.937 -1.125 . . . . 0.0 113.494 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -53.87 154.85 3.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.853 0.358 . . . . 0.0 111.201 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.55 172.57 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -80.93 -177.57 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.32 -171.91 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.406 ' NE2' ' HH ' ' A' 1617 ' ' TYR . 7.0 tt0 -170.47 119.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.423 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.628 ' HB ' ' HB3' ' A' 1615 ' ' PHE . 1.1 mt -115.49 -34.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.541 ' HZ2' HD21 ' A' 1612 ' ' ASN . 25.3 ttpp 179.92 -114.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.494 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 23.9 p90 177.3 106.74 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.997 0.427 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1612 ' ' ASN . . . . . 0.541 HD21 ' HZ2' ' A' 1610 ' ' LYS . 5.1 m-20 -178.71 -80.03 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.946 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -158.32 -37.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.9 t -101.3 -15.81 17.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.456 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.628 ' HB3' ' HB ' ' A' 1609 ' ' ILE . 39.0 m-85 -132.99 116.86 16.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.317 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1616 ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 179.21 -166.84 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.907 0.384 . . . . 0.0 111.098 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.406 ' HH ' ' NE2' ' A' 1608 ' ' GLN . 14.9 m-85 -80.2 115.33 19.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 44.7 pt -135.26 142.79 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.533 ' O ' ' HA ' ' A' 1582 ' ' PHE . 49.3 m-85 -93.81 127.45 45.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.159 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -80.61 -177.66 3.91 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.619 2.213 . . . . 0.0 112.414 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.569 HD11 ' HE2' ' A' 1584 ' ' LYS . 74.1 mt -145.74 99.62 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.778 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -126.57 -171.63 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1623 ' ' SER . . . . . 0.565 ' HA ' ' HG3' ' A' 1516 ' ' GLN . 79.1 p -75.2 -5.28 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.5 pp -92.85 -31.69 14.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.685 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.448 ' O ' HG12 ' A' 1627 ' ' ILE . 39.0 m -58.1 98.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.028 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -61.79 109.93 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' 1625 ' ' THR . 49.6 mm -113.14 134.73 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.757 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.32 100.23 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.953 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.528 ' O ' ' HD3' ' A' 1631 ' ' PRO . 43.3 t80 -58.0 120.44 8.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -89.19 106.8 14.62 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.264 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.75 ' HB2' HD22 ' A' 1643 ' ' LEU . 52.1 Cg_exo -52.51 99.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.505 2.137 . . . . 0.0 112.528 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1632 ' ' ARG . . . . . 0.571 HH21 ' HG3' ' A' 1598 ' ' GLN . 28.0 ttm180 -62.26 -36.0 80.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.723 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1633 ' ' ASP . . . . . 0.497 ' OD1' ' HB3' ' A' 1636 ' ' CYS . 14.7 t70 -68.65 117.12 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.822 HG21 HD13 ' A' 1643 ' ' LEU . 30.3 p -133.08 -13.23 2.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 9.8 t -94.75 12.78 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.276 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.497 ' HB3' ' OD1' ' A' 1633 ' ' ASP . 52.0 t -128.99 121.15 27.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 36.1 t 61.06 176.12 0.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.4 p -87.81 46.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 85.0 m -81.61 16.86 1.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.561 ' HA ' HD11 ' A' 1643 ' ' LEU . 9.0 mt-30 -81.67 4.04 23.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.0 -62.19 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 80.6 t80 -73.98 -6.54 48.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.434 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.822 HD13 HG21 ' A' 1634 ' ' THR . 49.7 mt -95.65 5.29 51.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.843 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -103.31 -48.0 4.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -62.27 -30.17 70.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.736 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.13 -30.86 70.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.63 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.0 -30.95 71.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.61 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -80.16 3.08 21.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.737 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.43 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 83.4 t80 -118.06 -29.56 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.679 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -63.85 -65.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -72.15 -12.68 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.975 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.85 -70.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.499 HD12 ' HE3' ' A' 1531 ' ' LYS . 17.3 tt -62.94 -28.0 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.964 0.411 . . . . 0.0 110.834 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.3 t80 -63.95 -50.59 68.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.713 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.418 ' C ' HD21 ' A' 1655 ' ' LEU . 6.8 tt -83.82 -64.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.487 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -60.65 -74.67 0.07 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 71.65 136.81 0.18 Allowed Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.476 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.858 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.1 t -140.61 105.22 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -131.59 117.31 18.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.783 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 25.7 ptm -116.25 144.31 44.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -134.24 -170.11 2.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' 1590 ' ' ASN . 9.0 m-20 -108.08 -47.22 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.241 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' 1516 ' ' GLN . 0.7 OUTLIER 54.33 -146.71 0.54 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.157 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.502 ' HA2' ' C ' ' A' 1622 ' ' ASP . . . -55.55 82.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.298 -0.953 . . . . 0.0 111.518 178.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' 1514 ' ' CYS . 64.3 tt0 -43.11 129.72 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.928 0.394 . . . . 0.0 111.586 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 26.2 mmt -120.34 141.04 50.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.847 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.83 153.82 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.65 147.88 50.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -84.12 149.08 26.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' 1631 ' ' PRO . 8.1 mp 54.56 29.95 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.338 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.91 74.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.88 91.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.227 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.3 t -176.37 -11.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.798 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.61 130.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 49.8 m -73.06 165.66 24.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -72.38 -10.59 59.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.9 mt-10 -107.35 -26.65 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 43.5 m -58.79 -24.83 62.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.714 HH22 HD22 ' A' 1646 ' ' LEU . 50.2 ttp180 -104.19 -34.12 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.66 ' HE3' HD11 ' A' 1653 ' ' ILE . 21.3 tptm -64.92 -34.41 78.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' 1528 ' ' GLU . 47.1 mt-30 -57.52 -17.35 13.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.054 0.454 . . . . 0.0 110.372 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.651 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 97.0 m -83.85 -42.35 16.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.687 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.753 ' HB1' ' HE1' ' A' 1602 ' ' MET . . . -66.23 -24.11 66.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.346 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 48.7 t -82.82 -5.45 58.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.049 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.651 ' HE2' ' HA ' ' A' 1533 ' ' THR . 52.2 mtmt -77.49 149.04 77.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.64 -9.96 27.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.562 2.175 . . . . 0.0 112.26 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.6 ' HB2' ' HZ3' ' A' 1604 ' ' LYS . 11.0 pt-20 -87.54 -3.51 58.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.488 HD11 ' HA2' ' A' 1603 ' ' GLY . 41.0 mm -117.14 102.85 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.407 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -74.03 -57.78 3.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.62 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.467 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -113.69 159.13 20.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.411 0.624 . . . . 0.0 112.105 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -151.85 104.01 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.676 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.737 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.4 OUTLIER -149.63 -177.6 5.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.147 0.499 . . . . 0.0 112.227 -178.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.556 ' HA ' HD23 ' A' 1600 ' ' LEU . 14.5 tmtt? -111.89 122.16 47.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.709 HG13 HD11 ' A' 1580 ' ' ILE . 37.7 t -119.58 170.77 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.939 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.589 ' N ' HG12 ' A' 1545 ' ' VAL . 20.8 t -150.05 119.12 6.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.386 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.597 HD11 ' HB2' ' A' 1561 ' ' ALA . 33.6 mm -56.28 141.62 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.025 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 34.7 p -129.65 -18.22 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.678 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 68.5 m -150.55 154.83 38.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.342 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.417 HG12 ' HB2' ' A' 1595 ' ' LYS . 42.1 mm -121.76 138.5 51.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.845 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 59.6 m -123.57 121.29 35.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.194 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 86.5 t -109.48 133.92 53.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1553 ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' 1556 ' ' PHE . 8.9 tp10 -141.28 7.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.537 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1554 ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' 1553 ' ' GLU . 33.4 m-80 70.24 -75.49 0.07 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.989 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 52.9 t -61.56 -67.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.98 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' 1553 ' ' GLU . 15.7 m-85 -109.7 102.86 11.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.003 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 62.1 t -84.37 137.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.79 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.612 ' HG2' HG23 ' A' 1583 ' ' ILE . 59.4 mttm -125.79 157.33 37.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.14 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' 1593 ' ' LEU . 95.1 m-85 -135.29 133.82 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' 1549 ' ' SER . 22.7 tptm -95.58 116.82 29.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.597 ' HB2' HD11 ' A' 1547 ' ' ILE . . . -122.49 152.76 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 111.557 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1562 ' ' THR . . . . . 0.561 ' C ' HG11 ' A' 1545 ' ' VAL . 2.4 m -115.66 117.08 29.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.833 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.764 HD22 HG12 ' A' 1566 ' ' ILE . 11.0 tp -66.49 103.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.164 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.533 ' HG ' ' NZ ' ' A' 1544 ' ' LYS . 4.4 mm? -63.91 -53.89 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.639 0.257 . . . . 0.0 111.59 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.53 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.9 t70 -149.47 154.1 38.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.153 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.764 HG12 HD22 ' A' 1563 ' ' LEU . 54.1 mt -103.38 138.5 27.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.005 0.431 . . . . 0.0 111.84 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.484 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 31.7 m-85 -113.76 -20.04 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.463 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 65.1 tttm -153.02 104.47 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.537 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 63.1 m -40.41 144.43 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.187 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.722 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -97.58 130.5 10.26 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.39 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -58.61 -27.3 64.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 110.664 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -90.83 41.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.528 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 69.2 t 57.53 92.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.257 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.722 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -116.5 128.11 55.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' 1563 ' ' LEU . 19.0 mm-40 -127.85 151.47 49.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.008 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -68.12 136.02 53.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.529 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.491 ' HA ' ' O ' ' A' 1563 ' ' LEU . 15.5 t70 63.0 24.41 14.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.054 0.454 . . . . 0.0 110.509 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 28.2 t -76.96 -167.99 0.97 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.523 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -120.09 127.08 52.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.466 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.709 HD11 HG13 ' A' 1545 ' ' VAL . 29.9 pt -136.2 144.09 34.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.969 0.414 . . . . 0.0 111.836 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 25.3 m -120.93 133.14 55.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.665 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.665 ' HE1' HD13 ' A' 1580 ' ' ILE . 29.6 m-85 -122.71 109.35 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.244 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.612 HG23 ' HG2' ' A' 1558 ' ' LYS . 34.7 pt -87.87 168.27 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.573 ' HB2' HD21 ' A' 1621 ' ' LEU . 5.5 tmmm? -169.91 144.36 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 111.136 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.528 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -83.65 133.74 34.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.931 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.9 p -57.95 -15.56 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.2 p -60.18 -14.49 17.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.433 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 63.5 m -62.12 159.14 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 56.2 p -139.79 1.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' 1513 ' ' ASP . 2.9 t-20 -135.04 -24.98 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -80.97 113.39 19.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -143.36 138.09 29.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.759 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' 1559 ' ' TYR . 87.9 mt -125.48 153.03 44.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.663 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 61.9 t -127.19 142.44 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.417 ' HB2' HG12 ' A' 1550 ' ' ILE . 39.3 ttpt -78.21 142.54 37.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.37 75.6 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.613 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.663 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 81.7 mtt180 -95.8 158.75 15.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.985 0.421 . . . . 0.0 111.367 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.53 ' HB3' ' HE2' ' A' 1544 ' ' LYS . 26.6 mt-30 -97.77 119.53 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.669 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -116.2 129.9 56.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.088 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.566 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 1.0 OUTLIER -86.61 131.49 34.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.38 178.783 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.562 ' N ' HD11 ' A' 1600 ' ' LEU . 76.4 mt -124.11 132.72 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.753 ' HE1' ' HB1' ' A' 1534 ' ' ALA . 69.2 mtp -149.16 113.08 5.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.986 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.488 ' HA2' HD11 ' A' 1539 ' ' ILE . . . -175.46 -158.17 18.61 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.645 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.6 ' HZ3' ' HB2' ' A' 1538 ' ' GLU . 47.3 mmtm -54.81 -177.36 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 111.842 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.454 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 10.1 pt-20 -99.58 55.82 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.178 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.445 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . 58.09 -175.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.382 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.421 ' HG ' ' HG3' ' A' 1620 ' ' PRO . 98.5 mt -121.24 94.6 4.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.549 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 45.1 mt-30 -64.59 115.1 4.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.12 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.636 HD11 ' HD1' ' A' 1615 ' ' PHE . 14.2 pt -141.94 12.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.959 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 1.7 tmtp? -54.22 99.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.997 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -148.21 -13.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1612 ' ' ASN . . . . . 0.524 ' HB2' ' HD2' ' A' 1615 ' ' PHE . 35.6 m-80 -143.32 -169.04 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.711 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -89.2 13.32 13.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.3 p -134.53 7.34 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.636 ' HD1' HD11 ' A' 1609 ' ' ILE . 61.6 m-85 -133.02 157.26 45.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.557 ' HG3' HG21 ' A' 1618 ' ' ILE . 16.1 ptm180 176.28 -154.53 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.847 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.465 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 35.3 m-85 -81.54 28.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.732 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.557 HG21 ' HG3' ' A' 1616 ' ' ARG . 28.2 pt -55.97 143.71 8.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' 1582 ' ' PHE . 30.1 m-85 -94.79 131.86 29.66 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.197 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1620 ' ' PRO . . . . . 0.421 ' HG3' ' HG ' ' A' 1607 ' ' LEU . 89.3 Cg_endo -78.61 -168.71 0.65 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.693 2.262 . . . . 0.0 112.153 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.573 HD21 ' HB2' ' A' 1584 ' ' LYS . 43.9 tp -160.98 104.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.537 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 11.0 m-20 -135.41 -162.41 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1623 ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' 1514 ' ' CYS . 66.2 p -86.22 -24.63 25.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.716 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' 1625 ' ' THR . 1.8 pt? -67.08 -38.07 85.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.842 0.353 . . . . 0.0 111.004 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.611 ' H ' HD23 ' A' 1624 ' ' LEU . 35.2 m -70.2 119.86 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -66.06 130.37 43.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.07 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 67.9 mt -132.33 129.97 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.665 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.566 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 9.4 tp10 -128.93 154.2 46.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.977 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.537 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 62.5 t80 -98.19 135.24 40.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.777 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.453 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 2.6 t-105 -109.31 103.09 51.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.725 ' HB3' HD12 ' A' 1521 ' ' LEU . 8.7 Cg_endo -50.69 109.12 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.81 2.34 . . . . 0.0 112.247 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1632 ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' 1597 ' ' ARG . 85.0 mtm180 -56.18 -50.24 71.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.8 133.44 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 70.1 p -123.01 5.55 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 75.8 p -125.03 66.98 1.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 83.2 m -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 79.6 p -163.4 -52.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.1 p -162.89 4.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 27.7 p -119.44 -175.12 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.803 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 26.0 mm-40 -106.25 -41.58 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.993 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1641 ' ' ALA . . . . . 0.53 ' O ' HD22 ' A' 1643 ' ' LEU . . . 68.1 99.91 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.43 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.596 ' HB3' ' HG3' ' A' 1631 ' ' PRO . 56.4 t80 74.75 -29.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.816 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.803 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.0 mm? -70.4 -4.36 22.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -87.23 -30.17 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -83.46 -21.22 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.714 HD22 HH22 ' A' 1530 ' ' ARG . 97.8 mt -77.81 -30.58 51.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.89 -35.03 79.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.574 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -73.27 -24.05 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.755 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.428 ' O ' HG23 ' A' 1653 ' ' ILE . 89.4 t80 -91.86 -21.55 20.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.6 -67.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.357 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.01 -7.21 39.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.088 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 20.4 t70 -75.63 -70.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.706 HD12 ' HA2' ' A' 1657 ' ' GLY . 7.3 tp -61.03 -24.79 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 110.834 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 61.7 t80 -74.02 -55.05 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.034 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 40.5 tp -81.63 -63.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.607 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -64.26 -71.5 0.17 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.117 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.706 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 66.38 -176.38 18.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.563 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 54.4 m 59.83 99.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 47.6 t60 -71.89 128.16 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.2 tpt -154.13 120.34 5.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -141.87 136.11 30.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.522 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 9.8 m-20 -71.73 -80.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.006 -179.851 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.463 ' O ' ' HB3' ' A' 1588 ' ' CYS . 39.7 t 48.18 84.96 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.55 -179.501 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . 93.31 46.73 3.21 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.843 -179.269 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -45.67 111.11 0.31 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.519 -0.34 . . . . 0.0 111.187 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 95.2 mmm -79.79 -178.69 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -129.92 150.68 51.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 148.03 12.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.023 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.46 117.34 25.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 97.1 mt 59.75 102.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.288 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.473 ' OD1' HG21 ' A' 1524 ' ' THR . 40.5 t0 -159.79 130.59 5.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.577 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 93.0 mt -89.05 15.12 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.488 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1524 ' ' THR . . . . . 0.473 HG21 ' OD1' ' A' 1522 ' ' ASP . 68.9 p -84.5 0.43 49.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.822 0.344 . . . . 0.0 111.058 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.48 131.36 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.7 p -93.66 178.88 5.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1527 ' ' ALA . . . . . 0.682 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -90.46 -7.55 52.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.2 mt-10 -95.44 -43.04 8.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.2 m -55.69 -35.5 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.558 HH22 HD23 ' A' 1646 ' ' LEU . 71.9 mtm180 -75.35 -33.13 61.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.629 ' HD2' ' HB2' ' A' 1534 ' ' ALA . 22.6 tptm -72.43 -28.96 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' 1528 ' ' GLU . 76.9 mt-30 -59.57 -18.64 42.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.782 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 77.7 m -100.19 -27.52 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.552 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.629 ' HB2' ' HD2' ' A' 1531 ' ' LYS . . . -68.01 -21.68 65.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.203 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.6 t -88.98 -7.42 56.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.012 -179.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.782 ' HE2' ' HA ' ' A' 1533 ' ' THR . 55.0 mtmt -85.96 150.86 53.75 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.797 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.15 -13.54 19.94 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.614 2.209 . . . . 0.0 112.566 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' 1604 ' ' LYS . 7.5 tp10 -68.87 -9.61 52.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.991 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.618 HG23 ' HG2' ' A' 1602 ' ' MET . 33.5 mm -121.29 145.71 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 -179.759 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.52 ' HB3' ' HG3' ' A' 1605 ' ' GLU . . . -122.15 -34.78 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.2 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.831 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.3 p90 -138.4 159.78 41.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.359 0.6 . . . . 0.0 112.075 -179.198 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -150.56 109.28 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.399 179.03 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.76 ' HB2' HD13 ' A' 1563 ' ' LEU . 0.7 OUTLIER -154.61 -179.54 8.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.891 0.376 . . . . 0.0 111.811 -178.469 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' 1563 ' ' LEU . 0.0 OUTLIER -117.78 129.43 55.68 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.252 0.549 . . . . 0.0 110.541 179.708 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' 1546 ' ' SER . 23.4 t -122.26 171.94 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.408 -178.548 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.585 ' N ' HG13 ' A' 1545 ' ' VAL . 22.9 t -144.56 115.36 7.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.18 178.603 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.597 HD11 ' HB3' ' A' 1561 ' ' ALA . 41.1 mm -55.38 143.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.304 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 73.6 p -135.83 -25.64 1.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.392 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.802 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 32.5 t -150.33 158.7 44.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.005 0.431 . . . . 0.0 111.28 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.2 mt -137.21 116.8 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.3 m -104.55 131.71 51.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 9.2 p -102.39 142.78 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1553 ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' 1554 ' ' ASN . 9.1 tp10 -143.36 165.05 28.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1554 ' ' ASN . . . . . 0.467 ' O ' ' HB ' ' A' 1555 ' ' VAL . 2.3 m-20 -75.02 121.62 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' 1554 ' ' ASN . 92.3 t 74.81 -38.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.478 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.418 ' H ' ' C ' ' A' 1554 ' ' ASN . 93.6 m-85 -111.48 -174.83 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 111.049 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 11.2 p -164.17 143.35 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.468 ' HG2' HD13 ' A' 1583 ' ' ILE . 87.8 mttt -124.57 142.26 51.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 -179.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.53 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 88.3 m-85 -124.08 126.11 45.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.736 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.802 ' HB2' ' HB3' ' A' 1549 ' ' SER . 75.7 mmtt -93.83 104.94 16.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.597 ' HB3' HD11 ' A' 1547 ' ' ILE . . . -121.92 141.77 50.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1562 ' ' THR . . . . . 0.508 ' C ' HG12 ' A' 1545 ' ' VAL . 5.3 m -97.52 118.01 33.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.76 HD13 ' HB2' ' A' 1543 ' ' TYR . 10.0 tp -68.65 104.43 1.98 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' 1562 ' ' THR . 4.4 mm? -68.13 -42.46 80.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -177.665 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.628 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 8.4 m-20 -150.94 155.42 39.07 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.171 -0.612 . . . . 0.0 112.39 -179.079 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.533 ' CD1' HD21 ' A' 1563 ' ' LEU . 8.9 mm -106.64 127.58 61.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.4 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.66 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 86.8 m-85 -112.41 -22.81 10.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.571 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.503 ' HB3' ' N ' ' A' 1542 ' ' ALA . 2.2 tmtp? -151.23 107.21 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.224 179.056 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1569 ' ' THR . . . . . 0.757 HG23 ' H ' ' A' 1571 ' ' GLU . 16.4 m -43.12 134.91 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.392 -178.656 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.831 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -81.94 1.21 87.22 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.445 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.757 ' H ' HG23 ' A' 1569 ' ' THR . 6.9 tp10 72.65 -41.51 0.51 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.609 0.364 . . . . 0.0 111.679 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.41 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -97.53 83.95 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.325 . . . . 0.0 110.85 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 94.4 t 46.57 81.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.332 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.466 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -103.7 134.75 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.58 179.562 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.815 ' HB3' ' HB3' ' A' 1578 ' ' SER . 9.9 tp10 -140.28 143.17 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 -179.616 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.628 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 14.5 ptmm? -80.73 44.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.491 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.553 ' HB3' ' O ' ' A' 1576 ' ' LYS . 3.9 p30 169.83 19.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.752 -179.456 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.815 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 47.5 p -73.97 -167.26 0.47 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.142 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -128.81 114.92 17.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.319 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.527 HD13 HG11 ' A' 1545 ' ' VAL . 19.0 pt -113.68 143.65 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.772 -179.48 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 2.6 m -116.27 125.55 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.644 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.53 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 12.2 m-85 -91.95 115.54 28.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.14 0.495 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.803 HG13 HD13 ' A' 1618 ' ' ILE . 1.7 mm -98.01 123.95 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.455 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.772 ' HB2' HD13 ' A' 1621 ' ' LEU . 35.0 ttpt -144.19 162.09 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.978 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.504 ' N ' ' HG2' ' A' 1584 ' ' LYS . 95.9 mttt -103.92 -179.31 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 179.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1586 ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' 1555 ' ' VAL . 17.2 m -88.64 4.92 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.1 p -90.21 -42.95 10.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' 1584 ' ' LYS . 2.0 m -59.59 99.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.665 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 89.5 m -86.47 -32.62 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.352 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.522 ' OD1' ' HA ' ' A' 1513 ' ' ASP . 17.5 m120 -71.65 -45.25 62.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.328 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -63.19 112.28 2.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -136.84 150.85 48.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.792 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.72 166.83 22.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.514 ' N ' ' HH ' ' A' 1599 ' ' TYR . 94.1 t -137.75 135.27 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.007 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.45 ' HA ' ' CG2' ' A' 1547 ' ' ILE . 27.9 ttpp -68.92 141.77 54.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 61.91 55.46 28.19 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.413 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -156.55 133.24 10.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 110.935 -179.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -67.38 130.08 41.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.037 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.514 ' HH ' ' N ' ' A' 1594 ' ' VAL . 17.2 m-85 -128.68 121.02 27.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.555 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.674 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 53.7 tp -76.93 141.43 40.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.731 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.484 HG21 ' HE1' ' A' 1541 ' ' TYR . 62.5 mt -135.4 142.05 40.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.095 0.474 . . . . 0.0 111.788 -179.015 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.618 ' HG2' HG23 ' A' 1539 ' ' ILE . 31.3 ttp -159.91 109.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.146 179.626 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' 1539 ' ' ILE . . . -179.48 -177.82 48.02 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 119.903 -1.141 . . . . 0.0 113.709 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' 1538 ' ' GLU . 32.4 mmmt -52.91 161.17 0.82 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.974 0.416 . . . . 0.0 111.704 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.52 ' HG3' ' HB3' ' A' 1540 ' ' ALA . 39.0 mt-10 -64.52 -171.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.301 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -97.65 -170.47 2.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.049 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.76 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -149.38 123.04 9.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.105 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.705 HG21 ' HB3' ' A' 1616 ' ' ARG . 9.6 tp -137.09 -12.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.68 -179.118 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.74 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 61.6 tttm 59.41 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 50.4 t80 -66.05 -77.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.706 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -139.25 102.92 4.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 59.79 13.4 3.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 56.3 m -155.71 135.95 13.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.74 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 26.0 p90 -60.82 145.0 51.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.705 ' HB3' HG21 ' A' 1609 ' ' ILE . 78.1 ttt180 -106.5 99.41 8.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.705 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -96.31 97.24 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.803 HD13 HG13 ' A' 1583 ' ' ILE . 24.5 pt -114.12 128.33 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.617 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.471 ' CE1' HG23 ' A' 1580 ' ' ILE . 43.9 m-85 -84.76 116.06 63.59 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 -179.3 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.78 -177.41 3.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.71 2.273 . . . . 0.0 112.578 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.772 HD13 ' HB2' ' A' 1584 ' ' LYS . 92.7 mt -137.9 81.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.46 ' O ' ' HA2' ' A' 1515 ' ' GLY . 10.0 m-20 -99.99 179.14 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 72.9 p -63.65 -19.25 64.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.563 HD13 ' N ' ' A' 1625 ' ' THR . 1.4 pp -85.06 -14.85 45.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.042 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.563 ' N ' HD13 ' A' 1624 ' ' LEU . 48.9 m -70.17 98.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.577 ' HB3' ' HB3' ' A' 1602 ' ' MET . 58.8 t-105 -71.29 115.13 10.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.025 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.5 mt -122.35 124.87 71.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.626 179.63 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.674 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 10.3 tp10 -126.16 118.65 25.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.34 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 6.8 t80 -61.9 120.38 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -107.65 107.37 60.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.339 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -46.82 110.57 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.578 2.185 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -51.96 -31.08 27.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.197 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -115.1 144.91 42.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.845 HG23 HD13 ' A' 1643 ' ' LEU . 42.9 p -112.88 -28.63 7.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.036 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 68.0 p -88.09 28.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.347 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 82.5 m -55.57 -64.88 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 77.5 p -168.14 -57.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.767 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 36.7 t -167.35 12.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.695 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 82.2 m -90.23 10.63 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.441 ' CB ' HD11 ' A' 1643 ' ' LEU . 4.7 pt20 -84.85 15.84 3.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.68 80.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 84.7 t80 -64.9 -20.17 66.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.742 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.845 HD13 HG23 ' A' 1634 ' ' THR . 65.6 mt -76.42 2.22 14.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.121 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -94.77 -40.15 9.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.751 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -68.48 -20.41 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.558 HD23 HH22 ' A' 1530 ' ' ARG . 84.4 mt -73.52 -30.8 63.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.654 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.38 -36.08 81.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1648 ' ' GLU . . . . . 0.407 ' OE2' ' HB2' ' A' 1527 ' ' ALA . 40.4 tt0 -64.07 -36.89 85.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 179.801 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.682 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 90.0 t80 -87.81 -15.09 37.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.615 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -53.17 -59.4 4.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.648 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1651 ' ' GLU . . . . . 0.464 ' HG3' HD12 ' A' 1655 ' ' LEU . 1.9 tp10 -91.19 -6.81 52.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.613 -179.211 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 17.6 t70 -79.5 -17.95 53.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.834 0.349 . . . . 0.0 110.797 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.48 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.9 tp -98.01 -23.15 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.747 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 57.4 t80 -90.84 -50.24 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.573 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.464 HD12 ' HG3' ' A' 1651 ' ' GLU . 33.8 mt -84.76 -53.13 5.56 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.057 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.615 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -91.46 10.02 29.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.132 -179.567 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.404 ' HA2' ' NZ ' ' A' 1531 ' ' LYS . . . -51.93 145.4 15.75 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.859 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.972 179.925 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 52.2 m -146.18 9.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.653 0.263 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 66.1 m80 59.46 -175.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.0 mmt -108.01 156.17 19.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -95.13 101.47 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -72.41 129.74 39.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.042 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 63.2 m -97.0 32.71 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.184 0.516 . . . . 0.0 110.328 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 126.67 74.44 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.13 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -51.38 108.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.486 ' HE2' ' HB3' ' A' 1591 ' ' ALA . 26.4 mmt -56.82 120.61 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -64.03 176.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.429 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 2.1 mp0 -62.17 172.56 1.4 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -96.47 -85.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' 1639 ' ' CYS . 6.7 mp -103.37 103.06 13.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.228 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.429 ' OD1' ' HB3' ' A' 1519 ' ' GLU . 3.3 m-20 -142.38 106.88 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.546 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.498 HD22 ' HD1' ' A' 1642 ' ' PHE . 22.2 mt -72.02 1.93 6.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 71.1 p -73.99 -19.16 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.057 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 66.0 mt -99.52 136.81 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 53.5 m -90.46 178.72 6.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1527 ' ' ALA . . . . . 0.423 ' HB3' ' HB2' ' A' 1649 ' ' PHE . . . -92.61 -26.43 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' 1532 ' ' GLN . 14.7 mm-40 -77.73 -33.99 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 55.1 m -61.13 -31.93 71.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.532 HH22 HD13 ' A' 1646 ' ' LEU . 82.9 mtm180 -85.79 -35.38 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.523 ' O ' ' HD3' ' A' 1531 ' ' LYS . 12.4 tmtt? -62.5 -38.19 88.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' 1528 ' ' GLU . 80.2 mt-30 -58.31 -18.8 29.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.567 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.781 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 48.6 m -87.24 -26.24 23.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.838 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.436 ' HB1' ' HE1' ' A' 1602 ' ' MET . . . -59.35 -43.88 92.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.3 t -89.17 2.75 53.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.971 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.781 ' HE3' ' HA ' ' A' 1533 ' ' THR . 36.6 ttmt -61.31 140.67 94.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.595 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1537 ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' 1536 ' ' LYS . 11.6 Cg_endo -54.92 -44.27 51.29 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.727 2.285 . . . . 0.0 112.81 -179.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.417 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.7 pt-20 -69.3 -4.56 18.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.581 HG13 HG22 ' A' 1533 ' ' THR . 39.6 mm -112.87 120.95 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -88.21 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.731 -179.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.844 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.9 p90 -107.32 162.09 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.165 0.507 . . . . 0.0 112.037 -179.008 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.526 ' HB1' ' HB3' ' A' 1568 ' ' LYS . . . -149.1 97.64 2.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.174 179.301 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.697 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 3.7 p90 -150.07 170.67 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.092 0.472 . . . . 0.0 111.761 -179.395 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.502 ' HZ1' ' NE2' ' A' 1598 ' ' GLN . 60.6 tttm -106.22 135.14 48.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.454 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.795 HG11 ' HA ' ' A' 1563 ' ' LEU . 26.0 m -130.68 -175.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 111.378 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.791 ' HB2' HD13 ' A' 1564 ' ' LEU . 22.8 t -149.68 128.92 12.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.985 -179.781 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.524 HD12 HD21 ' A' 1593 ' ' LEU . 44.3 mm -67.54 143.0 15.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.663 179.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1548 ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' 1561 ' ' ALA . 6.5 t -137.23 -19.1 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.788 -179.685 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.873 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 32.3 t -154.2 156.5 37.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.025 0.44 . . . . 0.0 111.56 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.42 HG12 ' HD1' ' A' 1559 ' ' TYR . 79.8 mt -142.71 123.97 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.488 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 88.4 m -132.38 130.18 40.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.384 . . . . 0.0 111.395 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.483 HG22 HG22 ' A' 1557 ' ' VAL . 5.0 p -119.76 132.13 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.75 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -93.22 -86.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.134 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 16.1 m120 -136.38 -74.83 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.006 -179.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 89.6 t -95.24 -41.16 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -98.1 127.0 43.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.223 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.483 HG22 HG22 ' A' 1552 ' ' VAL . 47.6 t -96.26 146.01 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.513 179.503 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.8 ' HG2' HG21 ' A' 1583 ' ' ILE . 90.3 mttt -124.28 151.68 43.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 111.354 -179.436 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.42 ' HD1' HG12 ' A' 1550 ' ' ILE . 99.5 m-85 -134.51 119.69 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.746 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.873 ' HB3' ' HB3' ' A' 1549 ' ' SER . 47.1 tptt -93.98 110.92 22.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.405 ' HA ' HG23 ' A' 1548 ' ' THR . . . -127.24 164.68 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 111.403 -179.641 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -118.75 133.58 55.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.953 179.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.795 ' HA ' HG11 ' A' 1545 ' ' VAL . 6.0 tt -63.68 148.5 48.88 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' 1546 ' ' SER . 91.5 mt -108.3 -53.62 2.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.157 179.518 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' 1543 ' ' TYR . 10.6 m-20 -156.52 140.55 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.091 179.452 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.697 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 70.8 mt -98.88 126.36 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.428 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.667 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -102.42 -20.58 14.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.352 0.596 . . . . 0.0 109.41 178.644 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.526 ' HB3' ' HB1' ' A' 1542 ' ' ALA . 62.8 tttp -151.82 124.53 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.807 179.228 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1569 ' ' THR . . . . . 0.519 HG22 ' H ' ' A' 1571 ' ' GLU . 3.7 m -48.28 159.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.034 0.445 . . . . 0.0 111.812 -179.134 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.844 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -102.2 -0.2 50.93 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.014 -179.35 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.519 ' H ' HG22 ' A' 1569 ' ' THR . 44.4 mt-10 74.56 -44.44 0.55 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.74 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -88.29 46.35 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.978 0.418 . . . . 0.0 110.182 179.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 80.6 t 63.14 88.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.182 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.514 ' HB1' HD11 ' A' 1566 ' ' ILE . . . -98.36 129.29 45.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.39 179.429 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' 1578 ' ' SER . 18.4 mm-40 -125.68 142.8 51.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.264 -179.491 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.446 ' HE2' ' OD1' ' A' 1565 ' ' ASP . 60.4 tttm -59.5 139.67 56.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.963 179.21 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.77 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.3 p30 48.32 32.88 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 111.223 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.489 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 61.4 p -68.82 -166.01 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.668 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1579 ' ' GLU . . . . . 0.477 ' CD ' ' HE3' ' A' 1560 ' ' LYS . 9.6 tp10 -112.15 122.92 49.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.44 179.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.648 HD11 ' HE1' ' A' 1582 ' ' PHE . 39.6 pt -122.41 142.72 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 111.825 -179.46 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.9 m -135.7 110.13 8.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.471 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.648 ' HE1' HD11 ' A' 1580 ' ' ILE . 61.7 m-85 -101.23 127.42 47.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.503 -179.451 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.8 HG21 ' HG2' ' A' 1558 ' ' LYS . 48.6 pt -118.71 152.92 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.987 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.672 ' HB3' HD22 ' A' 1621 ' ' LEU . 22.3 pttp -148.4 176.83 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.509 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -89.94 -168.49 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.5 p -97.54 -21.86 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.6 p -68.15 -16.1 63.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.298 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.433 ' HB2' ' H ' ' A' 1589 ' ' THR . 2.7 m -58.94 -85.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1589 ' ' THR . . . . . 0.433 ' H ' ' HB2' ' A' 1588 ' ' CYS . 4.3 m 57.37 14.79 2.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.088 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -124.48 -29.55 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.486 ' HB3' ' HE2' ' A' 1517 ' ' MET . . . -103.17 98.64 8.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -135.74 119.4 17.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.524 HD21 HD12 ' A' 1547 ' ' ILE . 3.2 mp -98.02 119.36 36.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.486 HG11 ' OH ' ' A' 1599 ' ' TYR . 11.3 p -65.96 144.67 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.71 ' HZ2' ' HB3' ' A' 1595 ' ' LYS . 6.0 ttpm? -82.14 113.75 20.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 131.26 -28.24 3.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.669 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -90.34 172.74 8.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.937 0.398 . . . . 0.0 111.224 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.502 ' NE2' ' HZ1' ' A' 1544 ' ' LYS . 20.7 mt-30 -116.07 146.64 42.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.611 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.486 ' OH ' HG11 ' A' 1594 ' ' VAL . 96.4 m-85 -141.16 158.81 43.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.057 0.456 . . . . 0.0 111.551 -179.536 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 61.2 tp -106.28 123.92 48.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.989 179.226 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.525 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.5 mt -114.44 134.2 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.077 0.465 . . . . 0.0 112.02 -179.121 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.436 ' HE1' ' HB1' ' A' 1534 ' ' ALA . 66.0 mtp -147.27 112.68 5.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.073 179.702 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.511 ' HA2' HD13 ' A' 1539 ' ' ILE . . . 176.27 -166.46 37.52 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.097 -1.049 . . . . 0.0 113.52 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -48.67 151.33 1.18 Allowed 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.889 0.376 . . . . 0.0 111.447 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.46 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 0.0 OUTLIER -73.47 -173.53 1.44 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.075 -179.822 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.405 ' HB3' ' CE2' ' A' 1619 ' ' TYR . . . -84.72 148.18 26.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.071 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' 1607 ' ' LEU . 7.2 mp -89.28 115.93 27.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.489 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 38.7 mt-30 -72.35 122.69 21.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.832 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.813 HG13 ' HB3' ' A' 1615 ' ' PHE . 12.7 pt -141.2 3.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.428 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.857 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 39.7 ttpt -49.75 109.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 81.3 t80 -105.66 -61.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.736 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 44.2 t30 -159.65 80.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.025 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 54.97 18.63 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.47 179.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.5 t -116.61 -20.72 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 111.014 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.813 ' HB3' HG13 ' A' 1609 ' ' ILE . 91.3 m-85 -140.61 -173.75 3.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.773 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.857 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 39.0 ptt180 171.37 -164.9 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -179.331 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.489 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 2.9 m-85 -75.75 89.6 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.61 179.725 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 46.7 pt -105.16 149.88 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' 1582 ' ' PHE . 52.5 m-85 -100.91 130.14 25.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.633 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -77.64 -167.23 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.587 2.191 . . . . 0.0 112.104 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' 1584 ' ' LYS . 49.6 tp -163.44 102.33 0.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.68 ' HB2' HD22 ' A' 1624 ' ' LEU . 9.5 m-20 -133.77 -164.48 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.802 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.2 p -80.41 10.83 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.709 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.68 HD22 ' HB2' ' A' 1622 ' ' ASP . 1.4 pt? -108.8 -2.68 18.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.343 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 58.7 m -85.7 129.27 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -95.31 112.26 24.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 69.5 mt -123.82 127.26 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.87 120.71 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.717 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.448 ' HA ' ' CD1' ' A' 1599 ' ' TYR . 15.7 t80 -61.37 114.86 3.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.484 ' CZ2' ' HB3' ' A' 1646 ' ' LEU . 3.2 t90 -105.78 97.46 15.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.034 179.451 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.412 ' HB2' HD23 ' A' 1643 ' ' LEU . 87.2 Cg_exo -44.42 103.48 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.778 2.318 . . . . 0.0 112.592 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -57.17 -24.46 54.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.73 126.77 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.559 HG22 HD11 ' A' 1643 ' ' LEU . 71.5 p -106.72 22.65 15.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.244 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 1.8 t -158.15 84.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.042 0.449 . . . . 0.0 111.317 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.429 ' HB2' ' SG ' ' A' 1639 ' ' CYS . 74.6 m -139.76 -77.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.906 179.779 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.5 t -171.04 107.0 0.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 54.4 m 57.28 19.75 5.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.462 ' HA ' HD23 ' A' 1521 ' ' LEU . 82.4 m -85.99 -36.9 19.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.03 -25.15 64.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -55.75 -29.66 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.269 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.498 ' HD1' HD22 ' A' 1523 ' ' LEU . 90.4 t80 -94.32 -33.6 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.571 ' HA ' HD23 ' A' 1646 ' ' LEU . 65.2 mt -65.15 -12.49 51.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.3 74.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -75.21 -29.54 60.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' 1643 ' ' LEU . 3.8 mm? -68.93 -28.39 66.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.85 -43.86 91.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.08 -25.34 68.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.459 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 84.5 t80 -87.27 -29.97 21.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -69.69 -23.14 63.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.279 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -98.14 -34.42 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.28 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.732 ' HA ' HD22 ' A' 1656 ' ' ASN . 14.3 t70 -53.6 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.549 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.674 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 8.5 tp -55.67 -26.17 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.614 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1654 ' ' PHE . . . . . 0.52 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 13.8 t80 -76.52 -32.29 58.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.479 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.52 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 93.2 mt -99.07 -74.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.907 0.385 . . . . 0.0 111.363 -178.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.732 HD22 ' HA ' ' A' 1652 ' ' ASP . 1.8 p30 -76.15 -55.52 5.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.417 -179.62 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.674 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 61.92 -158.53 33.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.903 179.993 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.8 t 65.52 134.53 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.962 0.41 . . . . 0.0 111.207 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.1 m80 -66.58 -20.8 66.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.0 tpt 60.77 101.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -123.74 148.57 46.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.866 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.451 ' O ' ' HB2' ' A' 1590 ' ' ASN . 9.5 m-20 -75.41 -40.63 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.264 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' 1516 ' ' GLN . 97.7 m 59.43 -152.82 0.39 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.168 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -53.13 84.57 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.883 178.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' 1514 ' ' CYS . 29.5 tt0 -43.59 -31.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.43 0.292 . . . . 0.0 111.36 -179.508 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.475 ' HG2' ' O ' ' A' 1516 ' ' GLN . 25.1 ptm 44.3 -162.96 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.598 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1518 ' ' GLN . . . . . 0.666 ' HA ' HE21 ' A' 1518 ' ' GLN . 0.0 OUTLIER -134.38 165.41 25.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.11 167.81 6.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.42 -80.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.07 105.72 17.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -136.82 105.46 5.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 73.2 mt -97.57 99.66 11.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.23 -179.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 10.1 t -176.25 -20.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.6 mt -90.09 118.83 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.7 p -80.16 171.79 14.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.08 -1.19 38.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -104.74 -36.47 7.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.7 m -64.06 -45.03 90.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.615 ' NH2' HD12 ' A' 1600 ' ' LEU . 16.1 ptm180 -78.82 -10.77 59.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.015 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.704 ' HE2' HD13 ' A' 1653 ' ' ILE . 27.4 tptp -86.03 -24.7 26.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' 1528 ' ' GLU . 84.8 mm-40 -59.26 -16.48 21.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.955 0.407 . . . . 0.0 110.655 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.803 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 50.9 m -90.88 -30.24 17.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.953 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' 1531 ' ' LYS . . . -68.5 -26.6 65.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.0 t -85.5 0.6 51.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.993 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.803 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.0 mtmt -90.65 142.23 27.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1537 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 32.4 Cg_exo -58.29 -24.93 70.2 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.61 -33.2 73.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.681 HG13 HG23 ' A' 1533 ' ' THR . 41.0 mm -99.05 106.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.68 -58.21 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.473 ' HE1' HG21 ' A' 1601 ' ' ILE . 2.0 p90 -108.17 163.09 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.325 0.583 . . . . 0.0 111.955 -179.231 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.8 121.16 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.222 179.25 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' 1565 ' ' ASP . 0.6 OUTLIER -170.2 -176.77 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.259 0.552 . . . . 0.0 112.264 -179.176 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -112.96 126.87 55.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.373 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' 1563 ' ' LEU . 17.4 m -121.01 -179.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.351 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.693 ' HB2' HD13 ' A' 1564 ' ' LEU . 21.7 t -152.28 125.71 8.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' 1561 ' ' ALA . 40.4 mm -66.71 143.46 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 70.7 p -131.43 -22.03 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.59 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.792 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 47.2 t -150.73 160.6 43.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.972 0.415 . . . . 0.0 111.232 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 83.4 mt -135.96 115.12 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1551 ' ' THR . . . . . 0.875 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 50.7 m -97.28 126.07 42.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.621 HG21 HG11 ' A' 1557 ' ' VAL . 93.4 t -125.52 128.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.995 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -115.69 -75.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -147.71 -69.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 30.7 t -104.94 -46.29 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -90.72 108.55 19.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.621 HG11 HG21 ' A' 1552 ' ' VAL . 61.8 t -92.92 108.55 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.714 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.875 ' HB2' ' HB ' ' A' 1551 ' ' THR . 34.1 mmtp -79.02 159.04 27.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.481 ' HH ' ' NZ ' ' A' 1584 ' ' LYS . 81.9 m-85 -140.51 121.46 14.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.792 ' HB3' ' HB3' ' A' 1549 ' ' SER . 24.4 tptm -94.17 123.72 37.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.477 ' HB3' HD13 ' A' 1547 ' ' ILE . . . -131.08 -179.9 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 111.674 -179.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 4.2 m -142.67 127.45 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.704 HD22 HG12 ' A' 1566 ' ' ILE . 14.3 tp -67.84 107.8 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.601 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' 1546 ' ' SER . 85.3 mt -63.41 -49.48 73.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.287 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' 1543 ' ' TYR . 18.4 t70 -158.74 149.32 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.704 HG12 HD22 ' A' 1563 ' ' LEU . 53.2 mt -87.97 139.82 16.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.153 0.501 . . . . 0.0 112.105 -179.349 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.524 ' HB2' ' O ' ' A' 1542 ' ' ALA . 17.6 m-85 -116.91 -20.94 9.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.022 178.105 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.502 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 63.0 tttp -162.34 108.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.415 179.5 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 91.3 m -41.39 142.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.344 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.72 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -95.45 132.43 11.09 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.163 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.36 -27.98 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.849 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -89.73 41.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.638 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 79.6 t 55.75 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.227 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.72 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.53 133.12 55.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.661 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.572 ' O ' HD23 ' A' 1563 ' ' LEU . 40.1 mt-10 -131.66 152.94 50.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.851 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.532 ' N ' HD13 ' A' 1566 ' ' ILE . 9.2 ptpp? -62.78 148.76 45.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.438 179.777 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.1 p30 47.55 29.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.337 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 32.5 t -79.6 -168.89 1.71 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.591 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -109.42 143.94 38.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.483 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.469 HD12 ' CE2' ' A' 1582 ' ' PHE . 4.1 pt -148.13 149.97 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 111.797 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 59.4 m -134.19 117.67 16.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.629 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.602 ' HA ' ' O ' ' A' 1619 ' ' TYR . 67.6 m-85 -108.7 123.42 48.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.343 0.592 . . . . 0.0 111.364 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.491 HG12 ' HD2' ' A' 1558 ' ' LYS . 33.7 mt -92.23 133.87 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.323 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.481 ' NZ ' ' HH ' ' A' 1559 ' ' TYR . 28.7 ttpt -134.61 142.59 46.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.31 179.291 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -90.09 159.33 16.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.5 p -69.11 -26.11 31.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.6 p -72.54 -13.89 61.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 67.0 m -65.55 112.75 3.75 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 52.3 m -110.59 -30.23 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' 1513 ' ' ASP . 17.3 m120 -86.37 -22.8 26.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -93.06 106.73 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.976 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -114.95 141.18 48.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.989 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.7 mt -138.63 119.91 14.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.521 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 58.5 t -104.34 138.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.715 ' HB3' ' HZ1' ' A' 1595 ' ' LYS . 5.9 ttpm? -79.68 121.18 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 106.67 -8.01 39.61 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.684 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.521 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 90.2 mtt180 -99.17 172.66 7.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.99 0.424 . . . . 0.0 111.4 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.541 ' HG2' HD13 ' A' 1564 ' ' LEU . 48.0 mt-30 -109.88 138.11 46.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.766 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.411 ' HH ' ' H ' ' A' 1594 ' ' VAL . 98.1 m-85 -142.18 129.91 21.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.342 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.615 HD12 ' NH2' ' A' 1530 ' ' ARG . 6.0 tt -80.29 139.64 36.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.61 ' N ' HD23 ' A' 1600 ' ' LEU . 86.2 mt -133.19 137.69 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.203 0.525 . . . . 0.0 112.178 -179.219 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.56 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 77.2 mtp -142.19 117.7 10.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.984 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.481 ' N ' HG23 ' A' 1539 ' ' ILE . . . -171.29 176.4 44.59 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.138 -1.03 . . . . 0.0 113.29 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.699 ' HZ2' HD13 ' A' 1624 ' ' LEU . 0.0 OUTLIER -61.54 177.44 0.39 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.944 0.402 . . . . 0.0 111.215 -179.795 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.849 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 12.0 pt-20 -70.38 176.12 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.465 ' HB1' ' CE2' ' A' 1619 ' ' TYR . . . -89.67 -171.72 3.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.8 mt -109.56 -171.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -161.47 110.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.714 HG23 ' HB2' ' A' 1616 ' ' ARG . 9.7 tp -118.76 -8.55 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.458 -179.351 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.845 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 17.5 tppt? 62.21 111.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 78.0 t80 -150.6 -60.48 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -68.38 -75.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -147.83 -68.61 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 50.3 m -97.16 68.15 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.845 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 97.3 m-85 59.13 177.27 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.234 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.714 ' HB2' HG23 ' A' 1609 ' ' ILE . 1.1 mmp_? -117.85 97.96 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.987 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -100.87 81.59 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.826 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 40.5 pt -103.09 161.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.602 ' O ' ' HA ' ' A' 1582 ' ' PHE . 24.4 m-85 -121.79 119.62 28.95 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.63 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -77.9 -173.57 1.87 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.29 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' 1584 ' ' LYS . 97.0 mt -144.59 94.2 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.711 179.663 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.499 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 9.8 m-20 -115.27 -174.3 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1623 ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' 1514 ' ' CYS . 78.7 p -68.92 -8.86 48.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.676 -179.456 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.699 HD13 ' HZ2' ' A' 1604 ' ' LYS . 1.1 pt? -98.02 -7.88 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.334 . . . . 0.0 110.994 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.2 m -77.33 111.44 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.56 ' HB3' ' HB2' ' A' 1602 ' ' MET . 62.6 t-105 -72.82 116.39 13.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' 1600 ' ' LEU . 70.0 mt -133.99 105.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -108.15 122.25 46.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.458 ' O ' ' HD3' ' A' 1631 ' ' PRO . 67.5 t80 -58.0 122.92 14.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -96.57 104.29 17.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.138 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.708 ' HB2' HD23 ' A' 1643 ' ' LEU . 87.4 Cg_exo -47.2 99.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.586 2.191 . . . . 0.0 112.519 -179.546 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1632 ' ' ARG . . . . . 0.51 ' O ' ' HD3' ' A' 1632 ' ' ARG . 3.7 tmt_? -61.37 -38.66 87.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.674 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.68 134.6 33.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.0 p -138.79 3.68 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 69.5 p -136.76 19.5 3.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 80.8 m -109.31 -47.71 3.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 75.9 p -138.69 -163.38 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 34.8 t -81.43 19.56 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.022 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 75.0 m -81.1 1.02 33.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.766 ' HA ' HD21 ' A' 1643 ' ' LEU . 20.6 pt20 -87.25 4.61 41.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -84.48 -29.44 26.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.523 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 58.5 t80 -68.33 -28.19 66.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.761 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.766 HD21 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -69.9 -28.87 65.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.73 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -80.17 -14.49 58.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.736 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.77 -26.18 21.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -61.38 -40.8 95.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1648 ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' 1652 ' ' ASP . 41.1 tt0 -66.69 -31.42 72.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.408 ' O ' HG21 ' A' 1653 ' ' ILE . 88.4 t80 -79.81 -25.27 40.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.792 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.37 -66.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.294 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -69.31 -4.24 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.143 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.598 ' HA ' HD22 ' A' 1656 ' ' ASN . 10.4 t70 -79.43 -74.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.704 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.5 tp -60.79 -29.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.203 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 54.4 t80 -70.83 -39.58 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.368 -179.655 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 2.3 tm? -105.17 -75.07 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.91 0.386 . . . . 0.0 111.072 -179.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.598 HD22 ' HA ' ' A' 1652 ' ' ASP . 3.7 p30 -81.72 28.26 0.42 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.574 -179.393 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -59.98 158.36 25.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.554 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.903 -179.989 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.123 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 53.7 m 58.56 21.25 8.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.662 0.268 . . . . 0.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 69.6 m-70 62.11 106.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 52.2 ttm -65.36 128.53 36.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.094 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -137.1 137.77 39.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.829 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.87 -81.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.26 -179.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' 1588 ' ' CYS . 42.8 t 47.0 77.98 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.044 0.449 . . . . 0.0 110.221 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.659 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 103.52 40.65 2.33 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.595 -178.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.502 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 8.6 tt0 -49.3 112.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.288 -0.456 . . . . 0.0 111.179 -179.561 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' 1515 ' ' GLY . 86.5 mtp -102.41 178.93 4.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -101.89 161.28 13.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.0 -178.9 0.83 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -85.34 -87.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.083 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' 1637 ' ' SER . 60.6 mt -101.39 99.54 9.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.545 ' HB3' HG22 ' A' 1524 ' ' THR . 3.9 m-20 -147.58 102.1 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.585 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.28 8.35 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.974 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1524 ' ' THR . . . . . 0.545 HG22 ' HB3' ' A' 1522 ' ' ASP . 6.5 t -66.7 -26.43 67.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.463 HG13 HG21 ' A' 1524 ' ' THR . 66.2 mt -94.25 132.6 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.998 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.6 m -85.57 176.59 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.29 -31.15 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.6 mt-10 -78.94 -29.91 44.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 46.3 m -61.86 -26.19 67.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.493 HH22 HD13 ' A' 1646 ' ' LEU . 33.4 mtm180 -95.42 -34.86 11.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.712 ' HE3' HD12 ' A' 1653 ' ' ILE . 22.2 tptm -64.77 -39.28 93.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.452 ' O ' ' HG3' ' A' 1536 ' ' LYS . 49.9 mt-30 -59.25 -17.94 32.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.521 179.646 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.831 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 96.8 m -80.93 -40.95 23.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.798 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.491 ' HB3' ' SD ' ' A' 1602 ' ' MET . . . -63.39 -30.57 71.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.224 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 99.6 m -75.3 -23.14 57.3 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.831 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.9 mtmt -61.52 148.98 85.3 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.28 -11.33 31.81 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.536 2.157 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' 1539 ' ' ILE . 12.2 pt-20 -83.34 2.69 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' 1603 ' ' GLY . 41.3 mm -128.75 113.62 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.09 -62.15 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.464 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.529 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.6 p90 -104.46 159.04 16.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.733 -179.096 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.577 ' HB2' ' HB3' ' A' 1568 ' ' LYS . . . -149.75 98.82 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.236 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.714 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 6.8 p90 -148.29 176.82 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.072 0.463 . . . . 0.0 111.9 -179.208 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.402 ' HZ3' ' NE2' ' A' 1598 ' ' GLN . 83.3 tttt -115.09 133.58 55.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.418 179.65 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.803 HG12 ' HA ' ' A' 1563 ' ' LEU . 16.8 m -130.07 -173.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 111.377 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 11.2 t -152.14 126.98 9.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.779 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.464 HD12 HD12 ' A' 1593 ' ' LEU . 42.2 mm -59.52 145.78 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 69.9 p -132.38 -16.4 2.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.63 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.722 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 36.0 t -162.09 159.51 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 111.498 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -137.54 113.5 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.616 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1551 ' ' THR . . . . . 0.527 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 60.4 m -100.79 137.36 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.321 -179.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 87.2 t -135.27 123.33 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.04 -81.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -149.73 -67.81 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.998 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' 1586 ' ' VAL . 66.2 t -105.38 -34.08 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.185 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -99.28 113.43 25.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.552 ' HB ' ' HG3' ' A' 1584 ' ' LYS . 47.9 t -91.92 147.86 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.628 179.769 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.816 ' HG2' HG21 ' A' 1583 ' ' ILE . 94.7 mttt -132.89 152.39 51.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.926 0.393 . . . . 0.0 111.346 -179.633 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.594 ' HE2' ' HD3' ' A' 1584 ' ' LYS . 98.9 m-85 -138.08 112.51 8.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.689 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.722 ' HB3' ' HB3' ' A' 1549 ' ' SER . 24.2 tptm -89.3 127.19 35.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.501 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.415 ' HB1' HD13 ' A' 1547 ' ' ILE . . . -141.05 160.1 40.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 111.615 -179.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -113.34 138.06 50.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.027 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.803 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.0 tt -71.45 139.73 49.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.624 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.599 ' N ' HD22 ' A' 1563 ' ' LEU . 9.2 mp -97.96 -56.46 2.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.969 0.414 . . . . 0.0 110.476 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.539 ' O ' ' HB2' ' A' 1543 ' ' TYR . 9.3 m-20 -154.51 148.05 25.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.269 179.722 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.714 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 62.5 mt -107.04 129.45 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 111.902 -179.637 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.506 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -102.45 -19.44 14.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.747 178.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.577 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 62.7 tttp -148.71 113.46 5.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.029 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 85.8 m -47.04 147.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.17 0.51 . . . . 0.0 111.759 -179.293 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.711 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.39 133.86 11.5 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.222 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.08 -27.24 63.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.742 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.808 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -91.1 40.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.427 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.4 t 56.2 89.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.227 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.711 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.38 128.56 54.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.707 179.573 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.421 ' O ' HD13 ' A' 1563 ' ' LEU . 19.8 mm-40 -128.07 144.63 51.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.912 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.606 ' HE3' ' HB ' ' A' 1566 ' ' ILE . 12.6 mptt -59.09 127.73 33.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.739 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.2 t70 64.65 42.23 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.061 0.458 . . . . 0.0 110.827 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.543 ' H ' ' HB3' ' A' 1563 ' ' LEU . 60.3 p -87.72 -165.84 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.762 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.69 134.85 54.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.771 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.67 HD11 ' HE1' ' A' 1582 ' ' PHE . 31.9 pt -139.23 140.53 37.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.493 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 37.9 m -132.9 120.7 21.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.77 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.67 ' HE1' HD11 ' A' 1580 ' ' ILE . 61.8 m-85 -109.72 118.93 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.123 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.816 HG21 ' HG2' ' A' 1558 ' ' LYS . 40.2 pt -105.6 169.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.594 ' HD3' ' HE2' ' A' 1559 ' ' TYR . 19.3 ptmt -170.01 -170.95 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 111.055 -179.615 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' 1585 ' ' LYS . 12.4 mptt -115.17 -175.61 2.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.654 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1586 ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' 1555 ' ' VAL . 28.3 m -95.84 15.8 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.9 p -108.55 -24.46 11.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.465 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' 1514 ' ' CYS . 8.0 m -69.75 88.7 0.54 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.91 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 21.9 m -93.56 69.19 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.502 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 22.3 t-20 -173.37 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.659 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -95.74 96.74 9.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.894 0.378 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -126.43 137.62 53.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.464 HD12 HD12 ' A' 1547 ' ' ILE . 85.7 mt -123.43 140.07 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 57.3 t -101.63 133.37 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.998 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.58 133.25 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 65.48 64.05 3.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.52 ' HE ' ' HE1' ' A' 1629 ' ' TYR . 32.6 ttt180 -157.36 145.05 18.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.684 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.402 ' NE2' ' HZ3' ' A' 1544 ' ' LYS . 22.3 mt-30 -82.71 137.45 34.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.988 0.423 . . . . 0.0 111.589 -179.349 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.511 ' OH ' ' HD3' ' A' 1597 ' ' ARG . 75.2 m-85 -146.25 139.95 26.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.849 179.761 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' 1627 ' ' ILE . 47.0 tp -85.6 136.67 33.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.38 179.518 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.529 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.4 mt -134.66 125.8 46.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.951 0.405 . . . . 0.0 111.933 -179.531 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.491 ' SD ' ' HB3' ' A' 1534 ' ' ALA . 41.9 mtm -143.38 114.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.875 179.174 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.524 ' N ' HG22 ' A' 1539 ' ' ILE . . . -170.86 179.39 42.82 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.11 -1.043 . . . . 0.0 113.324 -179.295 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' 1538 ' ' GLU . 13.6 mmmm -57.5 170.49 0.54 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.808 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 12.1 pt-20 -61.58 176.18 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.438 ' HB1' ' CE2' ' A' 1619 ' ' TYR . . . -92.87 -177.09 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.254 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.3 mt -81.97 -163.33 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.785 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -146.61 94.69 2.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.216 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 2.5 mm -109.86 18.88 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.406 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 63.1 pttt -51.3 150.77 3.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.564 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 40.9 p90 -164.98 6.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.182 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1612 ' ' ASN . . . . . 0.527 HD22 ' HB2' ' A' 1614 ' ' SER . 5.0 p-10 -162.8 -161.22 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.813 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -69.51 4.79 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.44 -179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1614 ' ' SER . . . . . 0.527 ' HB2' HD22 ' A' 1612 ' ' ASN . 52.4 m -143.04 93.43 2.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 28.7 p90 -57.14 161.18 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.98 179.659 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1616 ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -132.67 96.02 3.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.073 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -93.81 101.07 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 37.3 pt -103.15 162.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.016 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.438 ' CE2' ' HB1' ' A' 1606 ' ' ALA . 43.1 m-85 -112.84 138.31 22.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.64 -21.28 19.37 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.558 2.172 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1621 ' ' LEU . . . . . . . . . . . . . 61.3 tp 57.01 97.53 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -146.87 -167.56 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 65.7 p -59.67 -32.07 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.179 -179.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 47.9 tp -61.8 -27.96 69.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.837 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 30.6 m -77.65 106.36 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.196 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -76.02 103.6 6.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' 1600 ' ' LEU . 65.8 mt -116.52 134.21 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -134.48 145.03 48.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.52 ' HE1' ' HE ' ' A' 1597 ' ' ARG . 10.1 t80 -76.99 119.72 21.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.451 ' CE3' HD22 ' A' 1646 ' ' LEU . 2.4 t-105 -104.73 101.59 29.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.135 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.693 ' HB2' HD13 ' A' 1643 ' ' LEU . 80.7 Cg_exo -45.26 111.06 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.64 2.227 . . . . 0.0 112.392 -179.757 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1632 ' ' ARG . . . . . 0.508 ' HD2' ' HG3' ' A' 1597 ' ' ARG . 80.8 mtp180 -47.63 -37.05 11.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.366 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1633 ' ' ASP . . . . . 0.536 ' OD2' HG22 ' A' 1635 ' ' THR . 7.7 t70 -146.67 176.92 9.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.763 ' HB ' ' HB3' ' A' 1640 ' ' GLN . 72.9 p -88.28 -39.37 14.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.295 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.536 HG22 ' OD2' ' A' 1633 ' ' ASP . 8.8 t -83.55 -6.36 59.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.145 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.5 t -69.97 -56.57 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1637 ' ' SER . . . . . 0.503 ' HB3' HD11 ' A' 1521 ' ' LEU . 52.8 m -88.51 5.18 43.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 53.0 m 59.24 17.4 5.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 52.3 t -150.52 105.35 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.763 ' HB3' ' HB ' ' A' 1634 ' ' THR . 0.4 OUTLIER -93.71 4.08 54.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.55 -14.57 61.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.767 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' 1646 ' ' LEU . 54.3 t80 -90.95 -32.86 15.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.78 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.724 HD23 ' HA ' ' A' 1640 ' ' GLN . 3.0 mm? -72.01 -23.03 61.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.807 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.66 -20.1 60.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -87.03 -48.32 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.767 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.493 HD13 HH22 ' A' 1530 ' ' ARG . 9.9 mp -63.69 -27.07 68.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.69 -25.17 67.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.29 -35.04 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.658 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.448 ' O ' HG21 ' A' 1653 ' ' ILE . 82.6 t80 -72.92 -25.03 60.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.683 179.844 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.92 -63.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.288 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.39 -8.13 54.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -74.45 -69.24 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.76 HD13 ' HA2' ' A' 1657 ' ' GLY . 6.0 tp -62.07 -27.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.778 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.46 -53.81 12.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.275 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 40.6 tp -82.07 -63.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.624 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -64.71 -72.32 0.15 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.092 -179.793 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.76 ' HA2' HD13 ' A' 1653 ' ' ILE . . . 73.23 152.6 2.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.553 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.974 -179.983 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 79.2 p -145.88 -179.91 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -86.9 -39.48 15.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 51.7 ttm -93.89 138.85 31.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -146.17 143.99 29.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.465 ' HA ' ' CG ' ' A' 1590 ' ' ASN . 4.7 p-10 -93.23 29.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.068 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.5 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 14.3 t -50.11 105.05 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.419 179.578 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 80.52 42.0 10.71 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.81 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -44.62 116.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.868 0.366 . . . . 0.0 111.247 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.591 ' HE3' HG23 ' A' 1627 ' ' ILE . 63.7 mtt -100.01 153.43 19.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1518 ' ' GLN . . . . . 0.647 ' HA ' HE21 ' A' 1518 ' ' GLN . 0.0 OUTLIER -91.74 177.93 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.9 147.86 51.91 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.65 -20.81 64.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 68.8 mt -149.41 99.91 2.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.809 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -133.33 105.32 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.739 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 64.6 mt -81.99 10.7 6.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.007 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 73.7 p -86.47 -40.9 14.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 74.5 mt -77.92 130.77 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 87.7 p -88.63 -173.76 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -87.38 1.59 52.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -117.77 -30.76 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 85.4 m -62.98 -37.28 86.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.268 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -98.18 -5.07 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.569 ' HZ3' ' HA ' ' A' 1653 ' ' ILE . 1.5 tmtp? -84.04 -31.06 25.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.678 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.7 mm-40 -54.03 -27.31 31.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.941 0.401 . . . . 0.0 110.443 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.633 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 89.3 m -74.17 -32.45 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.852 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -67.75 2.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.629 -179.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1535 ' ' CYS . . . . . 0.491 ' HA ' ' HZ3' ' A' 1568 ' ' LYS . 42.3 t -131.03 -11.97 3.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.659 0.266 . . . . 0.0 111.482 -179.847 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.633 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.1 mtmt -60.04 153.73 54.17 Favored Pre-proline 0 C--N 1.332 -0.162 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.17 -28.78 73.53 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.678 2.252 . . . . 0.0 112.147 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.55 -12.34 61.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.614 HG13 HG22 ' A' 1533 ' ' THR . 40.7 mm -115.41 135.32 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.194 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -104.25 -67.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.342 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.519 ' HE1' HG23 ' A' 1601 ' ' ILE . 3.3 p90 -98.88 158.12 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.585 -179.297 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.574 ' HB1' ' HB3' ' A' 1568 ' ' LYS . . . -146.34 98.48 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.258 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.668 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 4.8 p90 -151.68 169.75 21.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.076 0.465 . . . . 0.0 111.942 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 83.1 tttt -102.31 138.04 39.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.702 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.904 HG13 ' HA ' ' A' 1563 ' ' LEU . 33.9 m -137.54 175.14 10.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.313 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.425 ' CB ' HD11 ' A' 1564 ' ' LEU . 11.3 t -142.11 142.04 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.806 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.455 HD13 ' HB2' ' A' 1561 ' ' ALA . 38.5 mm -84.77 137.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.624 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 34.5 p -130.84 -42.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.431 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.54 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 71.1 m -119.03 142.39 47.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.322 -179.377 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.8 129.34 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 60.4 m -136.72 139.1 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.615 HG21 HG13 ' A' 1557 ' ' VAL . 90.8 t -121.18 124.97 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 179.844 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -92.29 -82.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -149.74 -71.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 24.5 t -100.4 -32.03 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -108.8 113.0 25.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.615 HG13 HG21 ' A' 1552 ' ' VAL . 32.0 t -82.04 132.07 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.76 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.65 ' HA ' HG23 ' A' 1583 ' ' ILE . 32.6 mmtp -98.99 144.3 28.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.465 -179.319 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.518 ' HB2' ' O ' ' A' 1582 ' ' PHE . 68.1 m-85 -140.46 122.06 15.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.792 179.424 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.54 ' HB2' ' HB2' ' A' 1549 ' ' SER . 14.4 mmmm -107.1 126.32 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.429 179.625 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.455 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -133.03 179.22 6.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.002 0.43 . . . . 0.0 111.652 -179.62 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 6.7 m -128.9 142.18 51.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.904 ' HA ' HG13 ' A' 1545 ' ' VAL . 1.0 OUTLIER -78.43 98.59 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' 1545 ' ' VAL . 8.0 mp -58.44 -44.04 89.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.663 0.268 . . . . 0.0 111.117 -179.767 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.3 t70 -171.7 143.89 1.76 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.722 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.668 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 63.2 mt -96.1 130.78 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.013 0.435 . . . . 0.0 112.054 -179.452 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.592 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 55.8 m-85 -107.98 -17.47 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.518 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.574 ' HB3' ' HB1' ' A' 1542 ' ' ALA . 86.7 tttt -157.38 113.45 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.799 179.093 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 37.5 m -46.19 147.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.168 0.509 . . . . 0.0 111.666 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.636 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -109.92 135.47 12.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.376 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.574 ' HB2' ' HG2' ' A' 1605 ' ' GLU . 38.6 mt-10 -62.5 -18.85 62.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.625 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.597 ' HB3' ' HB2' ' A' 1605 ' ' GLU . . . -86.6 42.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.509 179.479 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.2 t 53.18 73.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.725 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.636 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -89.52 147.9 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.63 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' 1563 ' ' LEU . 9.9 tp10 -154.81 137.59 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -49.24 117.56 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.6 t70 65.19 48.45 2.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.967 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.413 ' OG ' HD13 ' A' 1563 ' ' LEU . 60.0 p -88.65 -165.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.539 179.288 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -118.75 117.68 29.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.715 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.565 HD11 HG11 ' A' 1545 ' ' VAL . 28.0 pt -113.35 144.13 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.225 -179.723 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 2.9 m -127.05 100.86 6.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.256 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.632 ' HA ' ' O ' ' A' 1619 ' ' TYR . 50.3 m-85 -98.27 135.42 39.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.702 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.65 HG23 ' HA ' ' A' 1558 ' ' LYS . 35.6 pt -134.47 152.76 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 111.618 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.627 ' NZ ' ' HA ' ' A' 1586 ' ' VAL . 7.9 ptmm? -126.91 170.89 11.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.035 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.499 ' O ' HG11 ' A' 1586 ' ' VAL . 97.7 mttt -93.67 31.05 1.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.113 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1586 ' ' VAL . . . . . 0.627 ' HA ' ' NZ ' ' A' 1584 ' ' LYS . 4.3 p 46.69 20.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.872 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1587 ' ' THR . . . . . 0.484 HG22 ' O ' ' A' 1585 ' ' LYS . 41.7 p -121.44 -24.14 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.129 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.5 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 13.2 m -60.38 111.82 1.71 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.774 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 78.3 m -95.43 -33.12 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.555 ' N ' HD21 ' A' 1590 ' ' ASN . 0.9 OUTLIER -79.47 7.0 8.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.185 -179.742 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.434 ' HA ' ' HE2' ' A' 1517 ' ' MET . . . -137.08 109.4 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.16 108.68 8.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 89.6 mt -93.37 141.01 28.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 8.3 p -138.18 140.41 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.058 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.465 ' O ' ' HD3' ' A' 1595 ' ' LYS . 0.0 OUTLIER -67.81 155.2 39.87 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 93.13 -31.31 6.39 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.598 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -95.28 171.84 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 111.322 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -121.82 143.75 49.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -140.56 141.95 35.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.354 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' 1627 ' ' ILE . 57.6 tp -90.06 127.16 36.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.829 179.134 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.519 HG23 ' HE1' ' A' 1541 ' ' TYR . 73.4 mt -122.53 131.54 73.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.174 0.512 . . . . 0.0 112.304 -179.012 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.446 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 31.0 mtm -145.01 115.9 7.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.567 179.006 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.525 ' HA2' HD11 ' A' 1539 ' ' ILE . . . -175.72 -171.73 39.88 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 119.872 -1.156 . . . . 0.0 113.784 -179.255 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -46.89 158.81 0.12 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.94 0.4 . . . . 0.0 111.601 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.597 ' HB2' ' HB3' ' A' 1572 ' ' ALA . 0.0 OUTLIER -81.47 43.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.622 -179.527 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' 1618 ' ' ILE . . . 50.19 -165.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.097 0.475 . . . . 0.0 111.614 179.449 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.479 HD11 ' N ' ' A' 1607 ' ' LEU . 6.4 mp -94.48 171.23 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.25 179.438 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' 1615 ' ' PHE . 2.2 pt20 -128.78 3.86 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.529 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 1.0 OUTLIER -149.35 79.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.98 0.419 . . . . 0.0 111.541 -179.879 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.565 ' HB3' ' HB3' ' A' 1616 ' ' ARG . 64.7 tttp -67.19 -17.25 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.675 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -116.96 172.54 7.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -73.72 -53.97 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.786 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -94.77 -39.9 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 39.7 t -82.62 172.75 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.539 ' HB2' ' O ' ' A' 1608 ' ' GLN . 45.7 p90 -133.79 139.04 46.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.565 ' HB3' ' HB3' ' A' 1610 ' ' LYS . 31.1 tpt180 -150.65 150.62 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.712 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -104.62 114.4 28.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.459 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' 1606 ' ' ALA . 47.3 pt -136.02 132.77 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.372 178.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.632 ' O ' ' HA ' ' A' 1582 ' ' PHE . 9.3 m-85 -80.09 120.62 80.26 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.395 -178.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -85.55 -168.74 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.834 2.356 . . . . 0.0 112.441 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' 1584 ' ' LYS . 82.3 mt -144.91 103.98 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -129.55 179.0 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.4 p -69.12 -16.19 63.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' 1625 ' ' THR . 1.9 pp -85.7 -10.31 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.097 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.47 ' N ' HD12 ' A' 1624 ' ' LEU . 62.4 m -78.05 110.14 12.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.018 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.459 ' O ' ' HA ' ' A' 1601 ' ' ILE . 68.6 t-105 -74.54 113.43 11.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.591 HG23 ' HE3' ' A' 1517 ' ' MET . 67.7 mt -131.19 109.29 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.91 120.28 34.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.442 ' O ' ' HD3' ' A' 1631 ' ' PRO . 87.6 t80 -57.96 128.15 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -94.02 107.04 25.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.346 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.518 ' HB2' HD22 ' A' 1643 ' ' LEU . 75.4 Cg_exo -50.14 113.91 1.2 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.586 2.19 . . . . 0.0 112.546 -179.691 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -79.68 -28.87 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.712 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1633 ' ' ASP . . . . . 0.419 ' HB3' ' SG ' ' A' 1636 ' ' CYS . 10.0 m-20 -80.71 127.83 32.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.467 HG23 ' HG ' ' A' 1643 ' ' LEU . 77.1 p -134.49 -28.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 76.1 p -93.11 8.83 38.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' 1633 ' ' ASP . 76.6 m -87.98 101.95 14.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.2 t 59.03 -87.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.243 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 35.2 t -169.78 23.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.808 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 83.4 m -75.81 8.42 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.196 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.725 ' HA ' HD23 ' A' 1643 ' ' LEU . 29.6 pt20 -81.07 9.91 6.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.977 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.1 -27.77 68.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 65.5 t80 -75.29 -38.05 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.761 ' HA ' HD21 ' A' 1646 ' ' LEU . 2.8 mm? -65.4 -16.63 63.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.47 -21.22 65.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -84.82 -33.34 22.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.761 HD21 ' HA ' ' A' 1643 ' ' LEU . 3.5 mm? -64.65 -32.51 74.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.64 -42.95 99.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.56 -35.74 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.476 ' O ' HG21 ' A' 1653 ' ' ILE . 87.7 t80 -66.69 -31.66 72.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -71.39 -21.7 61.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.398 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -110.26 -3.91 15.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.171 -179.441 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.669 ' HA ' HD21 ' A' 1656 ' ' ASN . 17.1 t70 -91.24 -70.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.569 ' HA ' ' HZ3' ' A' 1531 ' ' LYS . 0.0 OUTLIER -57.76 -28.34 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 62.4 t80 -75.44 -52.67 10.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.419 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.8 tt -84.15 -69.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.392 . . . . 0.0 110.826 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.669 HD21 ' HA ' ' A' 1652 ' ' ASP . 27.6 m-80 -54.18 -77.29 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.31 -179.683 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 69.65 151.82 0.59 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.518 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.017 -179.944 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 52.1 m 58.67 -173.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.802 0.334 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.3 m80 59.71 98.85 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 27.2 ttt -165.38 117.47 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -162.98 -70.41 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -163.84 34.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.994 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' 1591 ' ' ALA . 16.1 t -49.73 134.92 19.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.6 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 83.21 -51.77 4.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.26 -179.754 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' 1515 ' ' GLY . 23.9 tp60 72.21 -63.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.766 0.426 . . . . 0.0 111.44 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' 1517 ' ' MET . 23.3 ptm 42.41 99.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.23 0.538 . . . . 0.0 111.848 -179.723 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -53.37 162.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.217 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.38 155.27 15.08 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.06 118.09 23.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.769 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.9 mt 59.63 95.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -142.97 121.58 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 88.3 mt -86.21 15.68 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 77.1 p -86.45 -26.17 24.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.73 138.93 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.087 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 35.9 t -89.64 177.31 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -78.07 -30.8 49.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.225 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.6 mt-10 -82.77 -38.43 23.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 77.4 m -57.75 -45.86 85.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -70.55 -17.72 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.488 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.5 tmtp? -86.57 -23.4 25.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.655 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.9 mm-40 -55.94 -18.43 9.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.666 179.719 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.729 HG22 HG13 ' A' 1539 ' ' ILE . 37.9 m -91.02 -28.37 18.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.525 ' HB1' ' SD ' ' A' 1602 ' ' MET . . . -73.18 1.48 9.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.503 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.7 t -126.62 -0.8 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.263 -179.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.671 ' HG3' ' HA ' ' A' 1533 ' ' THR . 98.1 mttt -62.92 145.79 95.99 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.804 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.41 -17.9 29.04 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.51 2.14 . . . . 0.0 112.024 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.669 ' HG3' ' HE2' ' A' 1604 ' ' LYS . 36.1 tt0 -85.0 -64.06 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.729 HG13 HG22 ' A' 1533 ' ' THR . 43.6 mm -53.84 109.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.331 -179.735 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.755 ' HB1' ' H ' ' A' 1605 ' ' GLU . . . -78.9 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.41 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.526 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 6.3 p90 -99.71 155.84 17.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.803 -179.049 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1542 ' ' ALA . . . . . . . . . . . . . . . -148.12 89.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.804 179.274 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.74 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 10.1 p90 -141.95 166.61 24.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 112.067 -178.8 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.666 ' HZ1' ' HB3' ' A' 1544 ' ' LYS . 4.6 ttpm? -105.51 134.0 49.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.259 179.508 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' 1563 ' ' LEU . 36.0 m -125.78 -174.77 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 111.606 -179.63 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.727 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.4 t -150.78 122.72 8.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.772 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.4 HD11 ' HB1' ' A' 1561 ' ' ALA . 43.6 mm -64.74 143.07 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 47.7 p -128.63 -32.52 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.439 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.403 ' HA ' ' HE3' ' A' 1595 ' ' LYS . 74.1 m -150.66 152.18 33.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.346 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.422 HG12 ' HD1' ' A' 1559 ' ' TYR . 75.8 mt -128.84 137.42 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 60.7 m -138.13 140.56 39.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.511 HG22 HG23 ' A' 1557 ' ' VAL . 9.3 p -142.8 144.77 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -113.3 -66.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -132.99 -71.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' 1556 ' ' PHE . 6.5 m -111.96 -51.23 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.284 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.439 ' H ' HG22 ' A' 1555 ' ' VAL . 90.4 m-85 -71.67 124.34 24.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.821 179.875 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.511 HG23 HG22 ' A' 1552 ' ' VAL . 24.8 t -108.94 110.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.792 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' 1558 ' ' LYS . 0.7 OUTLIER -81.66 151.6 27.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.731 179.766 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.422 ' HD1' HG12 ' A' 1550 ' ' ILE . 93.5 m-85 -135.69 111.46 9.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -87.82 108.83 19.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.149 179.379 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' 1547 ' ' ILE . . . -133.4 156.87 46.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.006 0.431 . . . . 0.0 111.71 -179.366 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.8 m -105.35 136.02 45.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.863 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.79 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.7 tt -67.44 140.96 57.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.727 HD11 ' HB2' ' A' 1546 ' ' SER . 86.3 mt -98.25 -45.3 6.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.999 -179.609 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.2 t70 -167.7 138.57 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.795 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.74 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.5 mt -101.61 122.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.96 0.409 . . . . 0.0 111.914 -179.479 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -97.83 -15.68 20.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.529 178.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 61.9 tttm -153.46 111.16 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.771 179.328 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 58.8 m -43.47 144.65 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.165 0.507 . . . . 0.0 112.058 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.713 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -101.52 132.33 10.92 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.559 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.516 ' HG3' ' HB3' ' A' 1540 ' ' ALA . 39.9 mt-10 -60.6 -23.71 64.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.449 179.68 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.586 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -96.24 66.42 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.581 179.464 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.47 HG11 ' O ' ' A' 1573 ' ' VAL . 7.6 p 38.31 83.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.07 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.713 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -113.25 130.32 56.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.603 179.471 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.527 ' HB2' ' HB3' ' A' 1578 ' ' SER . 46.1 mt-10 -139.16 155.43 47.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.95 131.68 50.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.791 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.719 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.1 p30 45.84 37.45 3.54 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.614 179.681 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.527 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 53.9 p -77.86 -168.7 1.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 179.515 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -112.52 125.72 54.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.36 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.588 HD12 HG13 ' A' 1545 ' ' VAL . 9.3 pt -143.47 147.22 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.023 0.439 . . . . 0.0 111.963 -179.282 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 40.6 m -124.37 116.61 22.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.661 179.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.832 ' HB3' HD23 ' A' 1621 ' ' LEU . 51.9 m-85 -93.18 120.17 33.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.985 0.421 . . . . 0.0 111.607 -179.631 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.556 HG23 ' HA ' ' A' 1620 ' ' PRO . 6.4 tt -99.99 109.43 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.801 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' 1621 ' ' LEU . 25.2 ttpp -104.07 151.24 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.998 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.552 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 67.0 mttm -91.76 151.48 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.672 179.768 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 12.3 p -88.5 -18.13 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 10.2 t -88.32 12.95 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.46 -179.681 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.552 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 64.6 m -78.95 146.54 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 87.4 m -67.62 -73.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.338 -179.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 8.6 m120 -121.15 85.45 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 111.462 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.6 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -153.65 101.7 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.702 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -137.47 155.96 48.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 75.1 mt -133.99 166.86 21.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 73.6 t -128.56 140.79 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' 1549 ' ' SER . 87.6 tttt -77.15 140.23 40.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.97 61.12 6.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.594 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.512 ' HA ' ' HD2' ' A' 1632 ' ' ARG . 35.1 ttm180 -163.85 153.23 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.0 110.719 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.558 ' HG2' HD11 ' A' 1564 ' ' LEU . 25.0 mt-30 -88.57 133.36 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.034 0.445 . . . . 0.0 111.483 -179.565 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.486 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 68.1 m-85 -143.25 125.27 15.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.814 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 51.5 tp -75.58 140.19 42.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.263 179.338 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' A' 1626 ' ' TRP . 97.5 mt -139.69 127.58 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.149 0.499 . . . . 0.0 111.971 -179.404 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.525 ' SD ' ' HB1' ' A' 1534 ' ' ALA . 32.6 mtm -136.44 120.34 17.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.774 179.12 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.44 ' HA2' HD11 ' A' 1539 ' ' ILE . . . -160.51 179.49 35.97 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.161 -1.018 . . . . 0.0 113.445 -178.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.669 ' HE2' ' HG3' ' A' 1538 ' ' GLU . 9.2 ttpt -84.2 92.57 7.98 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.701 0.259 . . . . 0.0 111.701 -179.494 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.755 ' H ' ' HB1' ' A' 1540 ' ' ALA . 13.1 pt-20 40.78 -161.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.128 179.06 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.527 ' HB1' ' CD2' ' A' 1619 ' ' TYR . . . -128.44 -170.01 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.055 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.527 ' HG ' ' HD3' ' A' 1620 ' ' PRO . 85.0 mt -86.07 -165.93 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -169.21 98.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.188 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.603 ' HB ' ' HG3' ' A' 1616 ' ' ARG . 5.1 mm -108.48 -9.26 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.554 -179.289 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 51.3 mtmt 57.0 -173.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -169.89 -74.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 46.5 t30 -168.71 -63.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -110.88 -16.03 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.804 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.7 t -148.37 109.5 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.806 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.444 ' HB2' ' HD2' ' A' 1617 ' ' TYR . 12.4 m-85 -63.18 166.56 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.677 -179.892 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.603 ' HG3' ' HB ' ' A' 1609 ' ' ILE . 26.0 mmm180 -76.23 -71.85 0.36 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.846 0.355 . . . . 0.0 111.179 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.521 ' HA ' ' O ' ' A' 1607 ' ' LEU . 27.8 m-85 59.1 20.51 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.211 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.492 HD12 HG22 ' A' 1583 ' ' ILE . 19.0 pt -59.43 129.44 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.879 0.371 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.527 ' CD2' ' HB1' ' A' 1606 ' ' ALA . 5.9 m-85 -79.22 110.5 15.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.064 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1620 ' ' PRO . . . . . 0.556 ' HA ' HG23 ' A' 1583 ' ' ILE . 80.3 Cg_endo -74.88 151.36 40.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.56 2.173 . . . . 0.0 112.343 -179.829 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.832 HD23 ' HB3' ' A' 1582 ' ' PHE . 3.8 mm? -103.59 99.91 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 179.564 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.487 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 9.1 m-20 -123.01 -163.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.8 p -70.5 -31.48 68.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.563 -179.42 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 2.4 pt? -78.42 9.85 3.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.491 HG23 HG13 ' A' 1627 ' ' ILE . 68.2 m -95.29 117.85 31.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.545 ' O ' ' HA ' ' A' 1601 ' ' ILE . 51.0 t-105 -90.47 101.08 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.697 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.551 HD11 HD12 ' A' 1621 ' ' LEU . 75.2 mt -109.92 128.88 65.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -143.75 115.2 8.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.455 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 7.5 t80 -58.53 127.72 33.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t90 -113.08 100.27 50.92 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.415 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.449 ' HB2' HD12 ' A' 1643 ' ' LEU . 88.5 Cg_exo -47.13 106.39 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.674 2.249 . . . . 0.0 112.456 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1632 ' ' ARG . . . . . 0.512 ' HD2' ' HA ' ' A' 1597 ' ' ARG . 76.9 mtp180 -55.25 -39.0 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.69 157.83 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.075 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.737 HG23 HD13 ' A' 1643 ' ' LEU . 65.1 p -129.17 -11.65 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 7.3 t -132.93 -22.23 2.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.344 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 51.4 t -60.22 -44.87 94.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 80.1 p -105.69 14.02 28.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 55.3 m 59.92 16.54 5.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 51.8 t -91.43 116.28 28.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -149.83 -21.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.83 83.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.491 ' O ' ' HG ' ' A' 1646 ' ' LEU . 90.5 t80 -78.1 -26.28 47.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.664 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.737 HD13 HG23 ' A' 1634 ' ' THR . 77.2 mt -82.66 -0.77 48.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.066 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.22 -38.0 22.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.74 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -78.09 -28.17 48.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.52 HD13 HD23 ' A' 1643 ' ' LEU . 70.5 mt -68.06 -34.66 76.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.661 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.79 -42.49 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.678 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.45 -41.31 97.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.689 179.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 67.9 t80 -61.99 -34.99 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.027 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.16 82.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.361 -179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -87.59 -3.59 58.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -82.56 -73.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.084 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.477 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.6 tp -54.75 -26.82 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.065 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 75.3 t80 -76.01 -51.21 12.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 30.2 tp -92.85 -65.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.296 -179.463 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.633 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -55.43 -74.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.452 -179.505 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 70.43 139.2 0.15 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.337 -179.64 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.161 -179.901 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 53.7 m -92.7 -3.68 54.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 67.4 m80 -103.18 -44.97 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.2 tpt -98.52 -87.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -178.13 -173.54 0.37 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -69.04 96.13 0.77 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.607 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 12.4 t -86.33 107.3 17.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.711 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.777 ' HA3' ' HB1' ' A' 1591 ' ' ALA . . . 87.8 41.03 6.49 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.325 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -52.11 112.16 0.74 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 82.0 mtp -84.59 151.52 24.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1518 ' ' GLN . . . . . 0.483 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 4.0 pt20 -91.04 176.07 6.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.607 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 15.2 mm-40 -72.48 154.89 40.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -86.08 131.02 34.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' 1523 ' ' LEU . 89.9 mt 57.93 24.0 10.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.099 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.607 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 25.9 t70 -57.89 107.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' 1521 ' ' LEU . 77.3 mt -100.74 99.01 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -179.719 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 10.0 t -176.14 -18.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.966 179.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.2 mt -84.69 137.4 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 69.9 m -90.91 151.88 20.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -56.51 -55.08 38.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.795 179.636 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' 1532 ' ' GLN . 5.5 pt-20 -57.05 -40.22 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.136 179.808 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1529 ' ' THR . . . . . 0.412 ' HA ' HE21 ' A' 1532 ' ' GLN . 89.7 m -57.45 -39.88 77.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 45.6 ttm105 -77.41 -24.42 50.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.592 ' NZ ' ' HB2' ' A' 1658 ' ' CYS . 26.9 tptp -78.43 -24.53 46.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.3 mt-30 -77.79 5.14 10.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.812 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.752 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 57.9 m -122.73 -25.25 4.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -77.11 1.27 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.228 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 51.2 t -118.87 -22.11 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.752 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.1 mtmt -59.11 155.64 32.57 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.6 -13.79 11.6 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.633 2.222 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.482 ' C ' HD13 ' A' 1539 ' ' ILE . 37.9 tt0 -74.04 -33.94 63.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.824 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.9 mp -109.34 110.91 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.362 -179.496 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.719 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -84.82 -40.34 17.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.029 179.673 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.493 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -127.45 162.19 26.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.616 -179.468 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.89 102.25 2.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.801 179.187 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.735 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.4 p90 -144.42 173.87 11.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.118 0.485 . . . . 0.0 111.964 -178.793 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.618 ' HG2' HD11 ' A' 1564 ' ' LEU . 38.2 ttmt -108.04 129.34 55.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.307 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.715 HG13 ' HA ' ' A' 1563 ' ' LEU . 20.4 m -125.96 179.69 3.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.301 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 27.6 t -150.68 116.16 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.606 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 34.0 mm -62.53 147.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 179.717 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 4.4 t -152.12 -9.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 111.654 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.778 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 51.7 m -150.37 133.1 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.936 0.398 . . . . 0.0 111.246 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.4 mt -129.57 134.61 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.847 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 91.3 m -134.84 100.7 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.323 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.731 ' HA ' HG13 ' A' 1557 ' ' VAL . 7.6 p -98.96 123.49 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.667 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.85 -72.41 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.073 -179.654 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -163.05 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.071 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.511 HG12 HG12 ' A' 1586 ' ' VAL . 32.4 t -89.89 -45.39 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.224 -179.883 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -111.92 117.69 33.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.731 HG13 ' HA ' ' A' 1552 ' ' VAL . 33.1 t -99.3 125.7 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -92.85 117.56 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.753 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 53.0 m-85 -108.38 110.72 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.852 179.52 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.778 ' HB2' ' HB2' ' A' 1549 ' ' SER . 35.0 mmtp -94.69 115.98 28.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.433 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.83 164.45 26.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.376 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 8.9 m -113.35 132.66 55.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.715 ' HA ' HG13 ' A' 1545 ' ' VAL . 10.7 tp -78.59 105.04 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.523 179.653 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.618 HD11 ' HG2' ' A' 1544 ' ' LYS . 81.6 mt -56.16 -45.62 79.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.254 -179.391 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.521 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.4 t70 -174.64 158.64 2.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.658 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.735 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 61.6 mt -103.31 133.63 46.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 112.063 -179.626 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.572 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 96.5 m-85 -107.45 -18.6 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.082 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 23.6 tptm -153.18 104.7 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.634 179.146 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 15.0 t -44.54 150.67 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.028 0.442 . . . . 0.0 111.703 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.621 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -96.88 140.48 15.08 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.406 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.719 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 40.8 mt-10 -52.15 -32.37 35.47 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.994 0.426 . . . . 0.0 110.106 179.669 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.435 ' HB3' ' CE2' ' A' 1617 ' ' TYR . . . -87.75 45.78 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.758 178.779 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' 1573 ' ' VAL . 7.7 p 41.11 82.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.698 -179.403 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.621 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -86.14 144.47 27.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.59 179.466 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.484 ' O ' HD21 ' A' 1563 ' ' LEU . 39.5 tt0 -130.7 145.23 51.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.74 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -60.05 153.2 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.551 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.593 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.5 p30 46.28 31.19 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.382 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' 1575 ' ' GLU . 49.6 p -69.29 -166.89 0.1 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.805 179.579 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -126.89 95.9 4.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.584 179.598 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.622 HD12 HG11 ' A' 1545 ' ' VAL . 25.4 pt -89.63 152.65 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.557 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1581 ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' 1559 ' ' TYR . 8.2 m -135.24 98.2 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.76 179.546 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.753 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 25.6 m-85 -71.48 110.9 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.251 0.548 . . . . 0.0 110.553 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.673 HG13 HD13 ' A' 1618 ' ' ILE . 4.2 mm -89.8 121.72 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.797 -179.605 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.69 ' HG3' ' HB2' ' A' 1588 ' ' CYS . 40.3 ttpt -116.17 152.16 34.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.685 ' HB2' ' HZ1' ' A' 1585 ' ' LYS . 10.0 mtmp? -124.23 177.61 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1586 ' ' VAL . . . . . 0.511 HG12 HG12 ' A' 1555 ' ' VAL . 27.9 m -62.7 -26.7 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.37 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 81.2 p -75.0 -39.97 60.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.69 ' HB2' ' HG3' ' A' 1584 ' ' LYS . 2.7 m -71.0 89.03 0.78 Allowed 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 7.6 t -105.46 -14.01 15.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.27 -23.42 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.777 ' HB1' ' HA3' ' A' 1515 ' ' GLY . . . -86.72 103.65 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.135 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -142.51 127.17 18.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.3 mt -118.15 163.66 16.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' 1597 ' ' ARG . 3.3 p -130.89 134.55 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.606 ' HA ' ' HB ' ' A' 1547 ' ' ILE . 21.4 pttp -67.69 150.69 48.38 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 95.71 -2.39 64.49 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.44 ' HD2' ' CG1' ' A' 1594 ' ' VAL . 91.8 mtt180 -121.79 174.78 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 111.331 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.57 ' HG3' HH21 ' A' 1632 ' ' ARG . 23.1 mt-30 -120.68 140.76 51.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -136.73 143.07 43.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.411 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.598 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 2.1 tm? -91.52 114.26 26.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.024 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.591 HD12 HG23 ' A' 1545 ' ' VAL . 2.4 mp -113.38 122.97 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.057 0.456 . . . . 0.0 111.96 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.672 ' HG3' ' HB3' ' A' 1626 ' ' TRP . 2.7 ptm -145.3 114.16 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.307 178.819 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.824 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -173.67 -169.27 35.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.738 -179.478 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 58.4 tptt -48.19 149.32 1.51 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.765 0.317 . . . . 0.0 111.18 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.94 174.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.289 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -78.03 177.86 7.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.279 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' 1617 ' ' TYR . 4.0 mm? -95.95 -177.22 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.405 ' HG2' ' CE1' ' A' 1617 ' ' TYR . 78.8 mt-30 -141.25 77.69 1.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.851 179.769 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.558 HG21 ' H ' ' A' 1616 ' ' ARG . 9.6 tp -54.1 -38.92 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.725 -179.087 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.572 ' H ' ' HA ' ' A' 1615 ' ' PHE . 50.5 tptt 56.32 12.37 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1611 ' ' TYR . . . . . 0.535 ' HB3' HG13 ' A' 1609 ' ' ILE . 82.3 t80 -118.15 141.94 47.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.722 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 27.5 t-20 61.13 107.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 58.79 28.08 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.655 -179.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 23.3 t 69.0 -175.02 0.2 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.572 ' HA ' ' H ' ' A' 1610 ' ' LYS . 18.2 p90 -46.69 142.99 2.95 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.199 -179.849 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.558 ' H ' HG21 ' A' 1609 ' ' ILE . 24.0 tpp180 -110.98 -22.85 11.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 -179.81 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.472 ' HA ' ' O ' ' A' 1607 ' ' LEU . 5.2 m-85 53.13 60.8 3.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.083 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.673 HD13 HG13 ' A' 1583 ' ' ILE . 33.4 pt -83.44 149.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.798 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.507 ' O ' ' HA ' ' A' 1582 ' ' PHE . 68.5 m-85 -106.27 109.14 62.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.003 -179.612 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.93 175.76 9.29 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.499 2.133 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.697 HD11 ' HB3' ' A' 1582 ' ' PHE . 93.2 mt -130.9 59.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.782 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.48 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 10.3 m-20 -78.37 -165.8 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.015 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.7 p -78.39 -31.41 48.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.753 -179.328 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 2.1 pt? -75.59 4.51 7.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.744 0.306 . . . . 0.0 111.083 -179.575 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 58.9 m -89.7 109.42 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.017 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.672 ' HB3' ' HG3' ' A' 1602 ' ' MET . 30.9 t-105 -78.33 113.73 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.802 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 64.9 mt -120.69 113.01 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.598 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 35.3 tt0 -114.04 150.32 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.475 ' O ' ' HD3' ' A' 1631 ' ' PRO . 27.3 t80 -90.35 122.01 32.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.153 179.423 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -101.95 102.13 22.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.483 ' HD2' HD23 ' A' 1643 ' ' LEU . 42.5 Cg_exo -56.84 108.37 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.594 2.196 . . . . 0.0 112.303 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1632 ' ' ARG . . . . . 0.57 HH21 ' HG3' ' A' 1598 ' ' GLN . 36.0 ttm180 -70.97 -24.48 62.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -88.6 146.92 24.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.437 HG23 HD12 ' A' 1643 ' ' LEU . 81.9 p -132.67 -9.25 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 6.8 t -62.89 -23.96 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.552 ' HB3' ' HB3' ' A' 1639 ' ' CYS . 52.2 t -79.08 132.04 36.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 54.2 m -81.14 -20.8 40.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 46.7 t -93.34 -5.54 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.552 ' HB3' ' HB3' ' A' 1636 ' ' CYS . 52.6 t -111.47 -28.38 8.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -62.81 -25.79 68.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.73 70.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.317 -179.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.404 ' HA ' HD22 ' A' 1645 ' ' ASN . 67.9 t80 -66.44 -45.38 80.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.483 HD23 ' HD2' ' A' 1631 ' ' PRO . 83.5 mt -70.3 -12.6 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.68 -57.99 3.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1645 ' ' ASN . . . . . 0.404 HD22 ' HA ' ' A' 1642 ' ' PHE . 8.6 p30 -69.55 -16.48 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 58.8 tp -93.89 -18.54 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.629 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.46 -43.99 93.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.04 -49.6 76.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.65 179.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.469 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 90.4 t80 -66.29 -25.08 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.701 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -62.85 -27.41 69.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.196 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -116.79 -6.01 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.525 ' O ' ' HB2' ' A' 1656 ' ' ASN . 21.4 t70 -81.19 -9.51 59.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.78 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.429 HD12 ' HE2' ' A' 1531 ' ' LYS . 5.4 tp -107.53 -31.89 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.769 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 44.2 t80 -78.87 -46.7 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.008 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.86 -61.0 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.875 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.644 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -71.48 -72.06 0.24 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.253 -179.48 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.29 -165.62 54.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.353 -179.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A 1658 ' ' CYS . . . . . 0.592 ' HB2' ' NZ ' ' A' 1531 ' ' LYS . 42.6 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 75.4 p -137.7 -60.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 16.7 p80 -160.45 139.1 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1511 ' ' MET . . . . . 0.488 ' HE2' ' HA ' ' A' 1511 ' ' MET . 0.8 OUTLIER -139.85 136.26 33.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -147.81 108.67 4.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -110.57 118.09 35.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.028 0.442 . . . . 0.0 111.353 -179.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 29.5 p -70.23 -138.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.189 179.214 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -38.06 -32.37 0.12 Allowed Glycine 0 N--CA 1.457 0.055 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.669 179.157 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 66.77 112.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.882 0.373 . . . . 0.0 111.198 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.477 ' HE3' ' HG ' ' A' 1593 ' ' LEU . 21.0 mmt -98.43 153.47 18.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.686 179.817 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1518 ' ' GLN . . . . . 0.46 ' NE2' ' HG3' ' A' 1628 ' ' GLU . 10.5 pt20 -100.88 -177.22 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -77.04 164.58 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.223 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -88.74 127.48 35.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 65.0 mt 54.87 86.34 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -117.54 100.49 7.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 64.8 mt -89.47 91.21 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.245 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 9.1 t -177.63 -24.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 72.2 mt -82.98 108.6 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 53.6 m -61.05 153.94 24.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.26 -10.49 58.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.5 mt-10 -90.69 -36.36 14.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.3 m -58.16 -54.76 43.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.687 HH12 HD21 ' A' 1646 ' ' LEU . 4.4 ptm180 -70.92 -11.64 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.809 ' HE2' HD11 ' A' 1653 ' ' ILE . 26.8 tptp -83.39 -30.58 27.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.3 mm-40 -59.92 -17.45 37.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.689 HG22 ' HE2' ' A' 1536 ' ' LYS . 67.5 m -85.96 -29.15 23.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.699 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.09 84.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.251 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.0 t -100.16 8.45 43.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.975 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.736 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 33.6 ttpt -68.09 135.41 91.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.668 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1537 ' ' PRO . . . . . 0.403 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 68.1 Cg_exo -51.48 -53.07 7.71 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.824 2.349 . . . . 0.0 113.126 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.736 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.6 pt-20 -59.19 -16.73 22.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.361 -179.516 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.606 HD11 ' HA2' ' A' 1603 ' ' GLY . 43.4 mm -95.57 142.98 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.031 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -115.0 -65.3 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.473 -179.619 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.497 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 4.7 p90 -99.8 158.54 15.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.761 -179.18 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' 1568 ' ' LYS . . . -149.75 84.32 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.154 179.267 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.656 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 27.4 p90 -134.71 170.04 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.63 -179.252 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.59 ' HZ2' HE21 ' A' 1598 ' ' GLN . 0.0 OUTLIER -114.88 144.66 43.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.232 179.487 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.846 HG11 ' HA ' ' A' 1563 ' ' LEU . 11.3 m -137.89 -177.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.943 0.401 . . . . 0.0 111.392 -179.501 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.405 ' CB ' HD13 ' A' 1564 ' ' LEU . 19.0 t -143.62 128.11 17.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.707 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.431 ' HA ' ' HB3' ' A' 1561 ' ' ALA . 44.0 mm -57.58 133.28 22.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 68.2 p -116.23 -32.64 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.514 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 72.2 m -154.12 148.31 25.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.353 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.6 mt -116.8 111.74 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.81 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1551 ' ' THR . . . . . 0.727 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 61.2 m -92.45 133.12 36.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 11.2 p -145.66 142.31 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -126.02 -74.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -146.38 -66.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 37.2 t -104.15 -52.12 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -72.37 147.09 46.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 43.6 t -129.31 146.51 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.729 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.753 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.5 mttt -137.92 155.54 48.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.293 -179.589 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.575 ' HE2' ' HD3' ' A' 1584 ' ' LYS . 99.0 m-85 -142.8 105.16 4.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.797 179.843 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -89.45 129.11 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.327 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.431 ' HB3' ' HA ' ' A' 1547 ' ' ILE . . . -141.23 156.59 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.022 0.439 . . . . 0.0 111.863 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.6 m -97.08 140.77 31.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.825 179.48 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.846 ' HA ' HG11 ' A' 1545 ' ' VAL . 2.2 tt -74.46 126.44 30.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.949 179.236 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.59 HD11 ' HA ' ' A' 1545 ' ' VAL . 9.2 mp -84.33 -45.97 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.755 0.312 . . . . 0.0 110.962 -179.879 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.9 t70 -168.56 145.69 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.656 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 57.0 mt -105.86 119.71 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.746 -179.758 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -91.78 -19.16 22.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.301 0.572 . . . . 0.0 109.622 179.014 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.537 ' HB3' ' HB1' ' A' 1542 ' ' ALA . 62.4 tttp -149.48 112.25 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.843 179.386 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 95.3 m -45.05 143.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.17 0.51 . . . . 0.0 111.969 -179.146 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.715 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -102.34 137.25 13.26 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.256 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.544 ' HB2' ' HB2' ' A' 1605 ' ' GLU . 12.7 mm-40 -57.6 -20.06 30.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 110.561 179.767 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.433 ' HB1' ' HG3' ' A' 1605 ' ' GLU . . . -91.22 53.66 2.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.46 179.363 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' 1573 ' ' VAL . 7.2 p 41.53 41.42 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.694 -179.791 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.715 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -62.24 129.58 41.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.936 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.471 ' HB2' ' OG ' ' A' 1578 ' ' SER . 45.4 mt-10 -132.97 143.35 49.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -54.88 122.68 11.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.661 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.693 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.6 t70 67.97 56.13 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 55.0 m -105.16 -177.85 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.543 179.362 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -109.66 122.57 47.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.39 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.651 HD13 HG12 ' A' 1545 ' ' VAL . 5.5 pt -137.27 137.64 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 112.027 -179.37 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 39.6 m -112.09 132.13 55.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.342 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.432 ' CZ ' HD12 ' A' 1601 ' ' ILE . 29.5 m-85 -113.42 101.38 9.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.416 -179.585 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.753 HG22 ' HG2' ' A' 1558 ' ' LYS . 41.0 pt -88.79 167.21 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.664 ' HB3' HD11 ' A' 1621 ' ' LEU . 14.4 ptmm? -168.17 -177.01 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.952 0.406 . . . . 0.0 111.068 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 94.3 mttt -126.82 158.91 35.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 13.6 p -65.85 -11.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.024 0.44 . . . . 0.0 110.658 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.6 p -60.44 -26.74 66.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.494 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 52.1 t -64.18 134.54 55.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.755 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 12.1 m -126.2 53.42 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -173.44 -10.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.555 ' HB2' ' SG ' ' A' 1514 ' ' CYS . . . -61.87 137.15 58.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.896 0.379 . . . . 0.0 111.388 -179.869 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -158.01 106.52 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.798 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.477 ' HG ' ' HE3' ' A' 1517 ' ' MET . 97.2 mt -131.4 157.51 43.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.026 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.443 ' H ' ' HH ' ' A' 1599 ' ' TYR . 66.4 t -134.94 126.3 46.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.017 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.438 ' C ' ' HD2' ' A' 1595 ' ' LYS . 4.8 tmmm? -65.21 116.67 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.708 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 119.47 -19.02 9.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.519 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 91.9 mtt180 -90.51 177.11 6.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.028 0.442 . . . . 0.0 111.317 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.59 HE21 ' HZ2' ' A' 1544 ' ' LYS . 25.9 mt-30 -118.62 144.45 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.761 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.443 ' HH ' ' H ' ' A' 1594 ' ' VAL . 96.2 m-85 -142.04 141.68 32.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.152 -179.829 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.823 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 62.6 tp -82.69 145.3 29.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.228 179.322 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.432 HD12 ' CZ ' ' A' 1582 ' ' PHE . 82.2 mt -137.79 122.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.066 0.46 . . . . 0.0 111.712 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.414 ' O ' ' HB3' ' A' 1626 ' ' TRP . 56.9 mtp -143.49 112.84 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.05 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.606 ' HA2' HD11 ' A' 1539 ' ' ILE . . . -171.08 -178.29 41.49 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 119.785 -1.198 . . . . 0.0 113.914 -179.321 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.702 ' HD3' ' N ' ' A' 1605 ' ' GLU . 13.7 tmtt? -60.22 157.22 13.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.386 -0.407 . . . . 0.0 111.267 -179.609 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.702 ' N ' ' HD3' ' A' 1604 ' ' LYS . 35.4 tt0 -49.1 156.39 0.54 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.297 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' 1605 ' ' GLU . . . -71.9 -169.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.216 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' 1608 ' ' GLN . 94.9 mt -88.96 -165.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.235 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.587 HE22 ' HB3' ' A' 1615 ' ' PHE . 0.0 OUTLIER -150.1 100.61 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.323 -179.746 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.458 ' HB ' ' HB3' ' A' 1616 ' ' ARG . 2.7 mm -112.82 -16.22 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.336 -179.306 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.811 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 59.3 mttp 59.08 175.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.045 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 76.5 t80 -153.07 -71.42 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -161.12 -63.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -112.02 -4.82 14.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.802 179.751 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.1 t -152.88 130.55 11.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.811 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 44.0 m-85 -58.28 145.98 35.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.811 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.458 ' HB3' ' HB ' ' A' 1609 ' ' ILE . 79.2 ttt180 -96.68 105.6 17.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -98.91 118.87 36.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.216 -179.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.586 HD13 HD12 ' A' 1583 ' ' ILE . 31.3 pt -137.08 143.02 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.805 179.625 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.442 ' HE1' ' HB ' ' A' 1580 ' ' ILE . 24.5 m-85 -100.41 124.26 43.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.439 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.52 -8.57 19.56 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.624 2.216 . . . . 0.0 112.453 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' 1584 ' ' LYS . 95.6 mt 60.01 103.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.345 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.548 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.8 m-20 -144.19 174.73 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.729 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.0 p -60.09 -13.71 13.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.449 HD13 ' H ' ' A' 1604 ' ' LYS . 0.1 OUTLIER -69.02 -47.59 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 179.755 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.431 ' N ' ' HG ' ' A' 1624 ' ' LEU . 78.9 m -74.97 115.25 14.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.624 -179.43 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.414 ' HB3' ' O ' ' A' 1602 ' ' MET . 35.9 t-105 -72.75 119.98 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.65 179.557 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.414 HG21 ' SD ' ' A' 1517 ' ' MET . 56.1 mt -118.13 140.73 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.823 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -135.51 153.4 51.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.755 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.519 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 19.4 t80 -92.08 109.61 20.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.475 ' CE2' HD13 ' A' 1646 ' ' LEU . 12.1 t-105 -90.88 108.14 25.71 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.227 179.515 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.664 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 54.7 Cg_exo -51.49 99.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.408 2.072 . . . . 0.0 112.439 -179.626 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1632 ' ' ARG . . . . . 0.486 ' O ' ' HD3' ' A' 1632 ' ' ARG . 4.2 tmt_? -64.13 -23.56 67.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.653 179.833 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 4.4 p30 -90.49 135.57 33.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.734 HG22 ' HG ' ' A' 1643 ' ' LEU . 79.9 p -137.32 -31.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.981 179.844 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 65.3 p 49.96 23.11 1.0 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.574 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.0 t -141.27 -73.01 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 78.8 p -168.27 -56.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.2 p -163.01 6.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.613 ' HA ' ' HB3' ' A' 1643 ' ' LEU . 52.2 t -141.34 129.2 21.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.88 ' H ' ' HB2' ' A' 1643 ' ' LEU . 6.2 tp-100 -151.61 -94.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.216 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -93.59 -86.29 0.26 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.782 0.325 . . . . 0.0 110.561 179.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.664 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 31.2 t80 -78.73 -7.56 57.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.88 ' HB2' ' H ' ' A' 1640 ' ' GLN . 2.6 mm? -70.87 -5.09 27.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.115 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -90.43 -37.89 13.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -78.74 -14.95 59.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.687 HD21 HH12 ' A' 1530 ' ' ARG . 81.9 mt -82.1 -22.59 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.717 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -74.5 -40.35 61.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1648 ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' 1652 ' ' ASP . 39.9 tt0 -66.18 -22.89 66.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.457 ' O ' HG22 ' A' 1653 ' ' ILE . 73.2 t80 -96.12 -24.13 16.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.66 -77.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.461 -179.756 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -21.29 59.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.366 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.483 ' HA ' HD21 ' A' 1656 ' ' ASN . 16.7 t70 -59.56 -76.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.176 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.809 HD11 ' HE2' ' A' 1531 ' ' LYS . 6.4 tp -58.41 -29.88 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.016 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 54.5 t80 -67.27 -37.53 83.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.206 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 34.0 tp -105.49 -71.64 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.483 HD21 ' HA ' ' A' 1652 ' ' ASP . 18.8 m-80 -55.5 -68.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.257 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.667 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 68.69 -172.79 35.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.986 179.939 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 54.8 m -95.05 -59.23 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -84.71 157.35 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 94.9 mmm -93.47 139.77 30.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -116.69 149.28 40.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -85.78 45.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.277 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.511 ' O ' ' HB2' ' A' 1590 ' ' ASN . 40.6 t -51.56 155.76 1.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.432 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 48.66 34.73 15.15 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.603 -178.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -48.22 -36.3 13.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.201 -0.499 . . . . 0.0 111.346 -179.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 82.8 mtp 55.05 -169.15 0.08 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1518 ' ' GLN . . . . . 0.418 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 12.0 pt20 -131.12 167.54 18.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.77 176.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -96.52 142.05 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' 1523 ' ' LEU . 92.8 mt 57.24 22.59 7.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -56.82 105.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' 1521 ' ' LEU . 69.1 mt -94.78 5.01 53.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 74.1 p -81.73 3.86 24.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 83.0 mt -122.87 123.01 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.003 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1526 ' ' SER . . . . . 0.411 ' HB3' ' OG1' ' A' 1529 ' ' THR . 38.2 t -81.99 175.24 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -66.71 -56.98 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.752 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.3 mt-10 -63.93 -19.14 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1529 ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' 1526 ' ' SER . 96.3 m -56.71 -42.14 78.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' 1530 ' ' ARG . 27.1 ptt85 -106.78 -16.51 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.752 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 20.4 tptm -66.65 -44.93 80.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.71 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' 1532 ' ' GLN . 3.3 pt20 -61.1 -16.47 44.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.039 0.447 . . . . 0.0 110.202 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.778 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 60.6 m -76.42 -33.84 58.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.56 179.514 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.432 ' HB3' ' HE3' ' A' 1602 ' ' MET . . . -58.95 -21.57 58.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.776 179.67 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 86.6 m -83.73 -26.47 29.7 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.04 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.778 ' HE2' ' HA ' ' A' 1533 ' ' THR . 63.1 mttm -55.62 149.72 29.04 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.72 -18.8 32.24 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.493 2.129 . . . . 0.0 112.086 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.405 ' HB2' ' HZ2' ' A' 1604 ' ' LYS . 10.0 pt-20 -73.23 -22.96 60.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.615 HG13 HG22 ' A' 1533 ' ' THR . 40.9 mm -95.29 102.17 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.868 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.72 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.385 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.851 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.8 p90 -140.24 162.35 35.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.27 0.557 . . . . 0.0 112.051 -179.48 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1542 ' ' ALA . . . . . . . . . . . . . . . -147.79 96.53 2.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.653 179.307 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.675 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.7 p90 -144.15 -178.75 6.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.393 0.616 . . . . 0.0 112.445 -178.623 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.543 ' NZ ' ' HB3' ' A' 1598 ' ' GLN . 53.9 tttp -118.68 133.47 55.83 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.235 179.631 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.796 HG13 ' HA ' ' A' 1563 ' ' LEU . 24.7 m -131.31 -177.25 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.995 0.426 . . . . 0.0 111.526 -179.58 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 16.4 t -146.46 126.9 14.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.472 HD11 ' HB1' ' A' 1561 ' ' ALA . 47.0 mm -70.85 141.35 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.728 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 62.6 p -121.1 -44.55 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.483 -179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 69.5 m -142.52 166.39 24.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 111.412 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.432 HG12 ' HD1' ' A' 1559 ' ' TYR . 79.1 mt -131.12 120.14 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.78 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1551 ' ' THR . . . . . 0.774 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 86.3 m -95.51 121.97 37.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 96.6 t -112.46 123.18 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -110.21 -75.36 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1554 ' ' ASN . . . . . 0.466 ' C ' HD21 ' A' 1554 ' ' ASN . 0.2 OUTLIER -168.75 -72.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.67 -179.826 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 21.8 t -96.85 -35.63 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' A' 1584 ' ' LYS . 86.4 m-85 -106.93 115.72 30.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.518 ' HB ' ' HZ2' ' A' 1584 ' ' LYS . 47.1 t -89.29 144.48 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.851 ' HG2' HG21 ' A' 1583 ' ' ILE . 88.4 mttt -127.97 157.07 41.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 111.305 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.432 ' HD1' HG12 ' A' 1550 ' ' ILE . 97.9 m-85 -140.3 123.34 16.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -94.4 110.09 21.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.565 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' 1547 ' ' ILE . . . -126.93 171.27 11.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.313 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.3 m -128.65 139.63 52.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.796 ' HA ' HG13 ' A' 1545 ' ' VAL . 0.1 OUTLIER -68.78 138.34 54.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.195 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' 1545 ' ' VAL . 10.6 mp -104.24 -42.24 5.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.066 0.46 . . . . 0.0 110.525 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.0 t70 -168.22 142.24 3.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.863 179.243 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.675 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 39.5 mt -116.48 135.32 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -178.751 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -106.01 -21.32 13.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.428 -0.805 . . . . 0.0 108.976 178.318 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 63.6 tttm -142.65 106.9 4.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.26 179.054 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1569 ' ' THR . . . . . 0.739 HG22 ' H ' ' A' 1571 ' ' GLU . 7.9 m -42.74 150.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.513 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.851 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -94.41 -11.37 57.24 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.759 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.739 ' H ' HG22 ' A' 1569 ' ' THR . 44.1 mt-10 73.16 -34.28 0.29 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 122.349 0.26 . . . . 0.0 111.306 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -94.96 65.08 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.674 179.72 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 97.3 t 51.28 87.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.42 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.465 ' HB3' HD13 ' A' 1566 ' ' ILE . . . -137.61 165.07 27.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.834 179.508 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.842 ' HG2' ' HB3' ' A' 1578 ' ' SER . 9.4 pt-20 -171.33 178.25 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.501 179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.619 ' O ' ' HB3' ' A' 1577 ' ' ASP . 19.1 ptpt -81.41 36.1 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.505 -179.505 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.713 ' HA ' ' O ' ' A' 1563 ' ' LEU . 5.6 p-10 165.46 37.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.408 -179.425 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.842 ' HB3' ' HG2' ' A' 1575 ' ' GLU . 51.7 p -89.57 -168.03 2.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.087 0.47 . . . . 0.0 111.285 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -113.61 132.56 55.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.236 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.736 HD12 ' HE1' ' A' 1582 ' ' PHE . 32.3 pt -133.84 145.48 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.81 -179.409 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 27.1 m -134.12 122.64 23.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.678 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.736 ' HE1' HD12 ' A' 1580 ' ' ILE . 77.0 m-85 -108.05 135.26 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 111.318 -179.772 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.851 HG21 ' HG2' ' A' 1558 ' ' LYS . 48.9 pt -129.68 151.09 35.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.098 179.717 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.768 ' HD3' HD22 ' A' 1621 ' ' LEU . 23.8 pttm -152.66 -179.92 8.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -100.23 -170.3 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 29.6 m -82.15 -18.27 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 73.7 p -90.74 9.63 29.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.552 ' HB3' ' HD2' ' A' 1584 ' ' LYS . 17.8 t -122.39 16.67 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.712 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 67.9 p -67.75 -4.85 13.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.382 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' 1514 ' ' CYS . 17.0 m120 -58.4 -22.72 54.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -80.4 110.22 15.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -93.68 110.46 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.44 154.96 28.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.748 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 60.2 t -127.91 129.77 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.34 128.43 35.85 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 98.25 8.75 54.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.744 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.748 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 83.3 mtt180 -112.18 175.18 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.368 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.543 ' HB3' ' NZ ' ' A' 1544 ' ' LYS . 21.7 mt-30 -115.56 140.76 48.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.629 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.518 ' HH ' ' H ' ' A' 1594 ' ' VAL . 98.8 m-85 -141.61 154.98 45.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 111.529 -179.682 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' 1601 ' ' ILE . 2.3 tm? -98.02 135.64 39.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.002 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' 1600 ' ' LEU . 61.6 mt -129.6 133.04 65.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.187 0.517 . . . . 0.0 112.021 -179.385 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.432 ' HE3' ' HB3' ' A' 1534 ' ' ALA . 75.1 mtp -148.56 117.85 6.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.258 179.47 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.481 ' HA2' HD12 ' A' 1539 ' ' ILE . . . 167.31 -165.64 38.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 119.907 -1.14 . . . . 0.0 113.65 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.405 ' HZ2' ' HB2' ' A' 1538 ' ' GLU . 45.0 mmtm -49.84 159.1 0.42 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.984 0.421 . . . . 0.0 111.695 -179.509 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.478 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 12.4 pt-20 -90.34 -169.26 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' 1619 ' ' TYR . . . -108.18 141.38 40.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.325 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' 1607 ' ' LEU . 0.7 OUTLIER -130.85 104.1 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.336 179.571 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.601 ' HB2' ' HA ' ' A' 1617 ' ' TYR . 10.1 mm100 -151.21 -64.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 0.0 110.983 -178.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.479 HG12 ' HH ' ' A' 1617 ' ' TYR . 41.1 mt 68.35 94.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.033 -179.857 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.561 ' HB3' ' HA ' ' A' 1616 ' ' ARG . 22.1 pttm -54.19 105.57 0.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 67.0 t80 -101.3 102.05 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 84.3 m-20 66.9 -77.64 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.015 -179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -147.36 21.35 1.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.225 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 55.1 m -129.09 -176.49 3.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.042 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1615 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 59.05 -97.15 0.07 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.297 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.561 ' HA ' ' HB3' ' A' 1610 ' ' LYS . 96.4 mtt180 68.02 128.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.601 ' HA ' ' HB2' ' A' 1608 ' ' GLN . 5.6 m-85 -57.68 125.2 21.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.306 0.574 . . . . 0.0 112.334 -179.151 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.674 HD12 HD11 ' A' 1583 ' ' ILE . 6.8 pt -148.04 98.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.112 179.302 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.56 ' O ' ' HA ' ' A' 1582 ' ' PHE . 66.4 m-85 -55.24 130.0 68.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.642 -178.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -76.54 143.6 24.52 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.646 2.23 . . . . 0.0 112.117 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.768 HD22 ' HD3' ' A' 1584 ' ' LYS . 36.9 tp -106.65 97.62 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.442 ' HA ' ' SG ' ' A' 1514 ' ' CYS . 9.6 m-20 -120.85 -172.21 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 -179.863 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.1 p -80.71 -17.03 52.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.08 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -32.43 58.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.599 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.473 ' O ' HG13 ' A' 1627 ' ' ILE . 69.1 m -62.17 99.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.087 -179.835 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -59.9 111.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' 1600 ' ' LEU . 71.8 mt -125.59 125.72 69.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.418 ' HG3' ' OE1' ' A' 1518 ' ' GLN . 42.4 tt0 -123.94 148.4 46.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.453 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 30.3 t80 -83.6 119.34 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -96.98 115.41 65.72 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.276 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' 1643 ' ' LEU . 76.4 Cg_exo -49.48 100.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.517 2.145 . . . . 0.0 112.343 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -63.23 -21.72 66.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -130.54 161.04 32.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 111.457 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.435 ' HB ' ' NE2' ' A' 1640 ' ' GLN . 66.6 p -140.17 -55.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.745 179.712 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 62.4 p 50.32 20.43 0.66 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.755 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.468 ' HA ' HE21 ' A' 1640 ' ' GLN . 18.0 p 41.33 30.73 0.13 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.622 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 48.2 t -142.09 -35.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 54.3 m -73.03 -59.9 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 53.7 t -169.65 141.87 2.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.475 ' HA ' HD22 ' A' 1643 ' ' LEU . 19.3 mm-40 -141.74 -8.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -73.81 -8.04 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.22 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' 1646 ' ' LEU . 43.7 t80 -106.28 -27.68 10.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.9 mm? -78.96 -52.6 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.998 -179.875 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -63.68 -15.2 57.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 31.8 t30 -95.1 -38.2 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' 1642 ' ' PHE . 11.3 tp -72.83 -25.47 61.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.635 179.874 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.52 -25.91 66.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.395 179.559 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -62.27 -46.36 89.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.584 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 41.1 t80 -55.07 -30.62 60.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.809 179.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -70.56 -48.18 56.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.333 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -71.21 -13.58 61.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.401 -179.364 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.0 -68.33 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 111.047 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.555 ' HB ' ' HE3' ' A' 1531 ' ' LYS . 8.2 tp -58.62 -22.09 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.2 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -82.02 -56.7 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.317 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 42.8 tp -80.31 -61.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 -179.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.601 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -64.31 -73.1 0.13 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.031 -179.856 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 94.03 173.57 39.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.901 -179.96 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.0 p -151.41 -1.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -80.16 -61.97 1.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.778 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.15 174.04 11.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -155.32 114.34 3.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.312 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.512 ' C ' ' H ' ' A' 1515 ' ' GLY . 8.0 m-20 -63.66 137.65 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 15.6 p -78.18 25.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.352 0.596 . . . . 0.0 110.351 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.724 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 107.82 79.41 1.18 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.68 -179.242 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -47.0 121.42 3.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.261 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' 1591 ' ' ALA . 0.5 OUTLIER -70.64 140.15 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.019 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.44 167.48 5.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 12.9 mm-40 -63.68 163.77 10.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.998 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1520 ' ' GLU . . . . . 0.402 ' HG2' ' HG ' ' A' 1521 ' ' LEU . 41.3 tt0 -95.22 135.41 36.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' A' 1523 ' ' LEU . 94.4 mt 58.38 21.8 8.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.491 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 23.8 t70 -60.63 101.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.772 179.726 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' 1521 ' ' LEU . 72.9 mt -99.38 95.46 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 7.5 t -175.38 -20.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.06 127.51 39.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.4 t -77.13 160.41 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.9 -14.21 62.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.5 mt-10 -90.61 -32.6 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.1 m -62.7 -37.33 86.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.452 ' O ' ' HE3' ' A' 1602 ' ' MET . 4.2 ptp180 -88.03 -10.69 49.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.077 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.682 ' HE3' HD11 ' A' 1653 ' ' ILE . 21.7 tptm -86.81 -34.58 19.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.881 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.3 mt-30 -62.48 -13.39 29.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1533 ' ' THR . . . . . . . . . . . . . 42.5 m -88.84 -26.66 21.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.855 179.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.502 ' HB3' ' HE1' ' A' 1602 ' ' MET . . . -66.74 -58.9 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.279 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 37.3 t -69.99 -7.71 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.761 ' HZ1' ' HB3' ' A' 1538 ' ' GLU . 27.0 ttpp -62.94 137.93 97.09 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.706 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1537 ' ' PRO . . . . . 0.671 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 12.3 Cg_endo -55.68 -31.05 78.2 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.815 2.344 . . . . 0.0 112.946 -179.497 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.761 ' HB3' ' HZ1' ' A' 1536 ' ' LYS . 10.3 tp10 -64.7 -25.13 67.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.736 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.827 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -105.14 129.38 57.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.53 -41.56 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.435 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.473 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 1.3 p90 -123.83 159.12 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.21 0.529 . . . . 0.0 112.045 -179.258 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.516 ' HB1' ' HB3' ' A' 1568 ' ' LYS . . . -153.24 110.08 3.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.789 179.326 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.673 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 1.3 p90 -156.71 -178.65 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.198 0.523 . . . . 0.0 112.126 -178.75 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.539 ' HG2' HD13 ' A' 1564 ' ' LEU . 63.3 tttm -114.81 135.15 54.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.171 179.823 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.797 HG13 ' HA ' ' A' 1563 ' ' LEU . 20.4 m -129.77 174.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 0.0 111.988 -179.314 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.452 ' HB3' HD11 ' A' 1564 ' ' LEU . 75.1 p -143.68 117.54 9.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.609 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.45 HD11 ' HB2' ' A' 1561 ' ' ALA . 43.4 mm -55.25 139.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 72.5 p -128.23 -21.66 3.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.478 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.753 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 40.9 t -153.28 158.68 41.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.171 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.2 mt -144.1 116.69 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 89.4 m -110.62 109.45 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.039 179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.697 ' HA ' HG21 ' A' 1557 ' ' VAL . 3.8 p -106.21 123.48 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1553 ' ' GLU . . . . . 0.579 ' HG3' ' H ' ' A' 1554 ' ' ASN . 8.0 tp10 -110.22 174.61 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.426 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1554 ' ' ASN . . . . . 0.579 ' H ' ' HG3' ' A' 1553 ' ' GLU . 34.8 m-80 -54.31 -23.34 14.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.521 -179.686 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 92.5 t -138.64 -74.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.726 0.298 . . . . 0.0 111.633 -179.773 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -77.18 120.04 21.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.238 -179.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.697 HG21 ' HA ' ' A' 1552 ' ' VAL . 4.4 p -107.6 115.18 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.791 ' HG3' HG22 ' A' 1583 ' ' ILE . 11.4 mptt -89.78 155.67 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -135.76 130.48 34.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.011 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.753 ' HB3' ' HB3' ' A' 1549 ' ' SER . 16.3 tppt? -108.17 132.01 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.527 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.45 ' HB2' HD11 ' A' 1547 ' ' ILE . . . -138.76 173.46 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 111.635 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.3 m -124.13 127.62 48.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.83 HD23 HG12 ' A' 1566 ' ' ILE . 5.4 tp -69.99 90.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.55 ' H ' ' HA ' ' A' 1545 ' ' VAL . 87.6 mt -48.8 -45.34 40.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.339 -179.114 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.4 t70 -169.32 153.61 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.669 179.774 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.83 HG12 HD23 ' A' 1563 ' ' LEU . 38.2 mt -100.91 130.13 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.253 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.673 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 86.2 m-85 -109.59 -24.29 11.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.306 0.574 . . . . 0.0 109.496 178.504 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.516 ' HB3' ' HB1' ' A' 1542 ' ' ALA . 58.5 tptt -146.69 106.69 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.582 179.28 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1569 ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' 1574 ' ' ALA . 63.9 m -45.71 134.76 7.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.284 0.564 . . . . 0.0 112.1 -178.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.782 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -91.41 131.78 10.95 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.213 179.636 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -59.28 -20.57 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.343 . . . . 0.0 110.799 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.746 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -89.27 44.32 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.638 179.492 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 69.4 t 59.0 95.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.344 -179.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.782 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -92.21 144.51 25.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.496 ' HB3' ' HB2' ' A' 1578 ' ' SER . 10.2 tp10 -147.1 138.03 23.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.849 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -55.86 133.77 51.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.133 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.7 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.3 p30 45.6 39.2 4.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.227 0.537 . . . . 0.0 110.912 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.496 ' HB2' ' HB3' ' A' 1575 ' ' GLU . 32.7 t -64.52 -169.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.67 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -123.02 105.22 9.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.617 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.59 HD11 ' HE1' ' A' 1582 ' ' PHE . 36.8 pt -99.33 150.51 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.532 -179.619 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 10.2 m -134.96 105.16 6.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.619 ' HA ' ' O ' ' A' 1619 ' ' TYR . 52.6 m-85 -100.57 117.33 34.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.982 0.42 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.791 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.0 pt -98.88 149.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.047 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.561 ' HB2' HD11 ' A' 1621 ' ' LEU . 36.5 ttpt -133.18 158.98 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.444 ' N ' ' HG2' ' A' 1584 ' ' LYS . 97.4 mttt -108.54 -169.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 27.3 m -95.77 3.7 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 77.8 p -94.31 -5.98 45.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.462 ' HB2' ' HB3' ' A' 1514 ' ' CYS . 42.1 t -84.2 -72.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.595 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 71.8 p 49.0 24.32 0.86 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.072 179.359 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 14.3 m120 -134.25 -5.61 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 111.1 179.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.49 ' HA ' ' SD ' ' A' 1517 ' ' MET . . . -89.06 127.64 35.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -119.47 104.44 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.6 mt -121.22 96.13 4.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.643 179.718 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 43.8 t -74.68 147.7 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.262 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 62.9 tttp -65.3 136.14 56.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.69 33.48 87.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.524 ' HE ' ' HA ' ' A' 1597 ' ' ARG . 2.5 tpm_? -109.8 149.79 29.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.752 0.311 . . . . 0.0 110.749 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.426 ' HB3' ' HZ3' ' A' 1544 ' ' LYS . 21.1 mt-30 -91.09 129.42 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -135.94 150.01 49.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.001 0.429 . . . . 0.0 111.639 -179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' 1601 ' ' ILE . 5.6 tt -98.82 131.4 44.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.832 179.212 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.573 ' N ' HD22 ' A' 1600 ' ' LEU . 90.3 mt -124.88 128.55 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.127 0.489 . . . . 0.0 112.009 -179.263 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.502 ' HE1' ' HB3' ' A' 1534 ' ' ALA . 74.3 mtp -148.23 113.5 5.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.32 179.528 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.827 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.69 179.92 48.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.149 -1.024 . . . . 0.0 113.297 -179.746 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.428 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.8 tppp? -55.23 158.43 3.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.757 0.313 . . . . 0.0 111.084 -179.802 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.746 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 13.4 pt-20 -60.91 175.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -72.01 -173.43 1.03 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.6 mt -131.81 114.39 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.724 ' HB2' ' HB2' ' A' 1615 ' ' PHE . 4.5 pp0? -83.52 135.96 34.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.815 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' 1609 ' ' ILE . 16.8 tt -179.64 36.36 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.245 -179.796 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.593 ' H ' ' H ' ' A' 1616 ' ' ARG . 87.5 tttt -43.12 -71.41 0.08 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.857 0.361 . . . . 0.0 111.245 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 72.1 t80 -155.88 87.12 1.06 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.284 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 7.7 t30 50.62 -89.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.546 179.547 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -58.56 -61.65 2.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.304 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1614 ' ' SER . . . . . 0.538 ' OG ' ' HD3' ' A' 1610 ' ' LYS . 22.2 t -65.05 -179.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.724 ' HB2' ' HB2' ' A' 1608 ' ' GLN . 8.6 p90 -149.48 134.37 17.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.951 0.405 . . . . 0.0 111.329 -179.75 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.604 ' HG2' HG21 ' A' 1618 ' ' ILE . 79.4 ttt180 -118.52 119.63 35.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.522 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' 1608 ' ' GLN . 1.9 m-30 -87.5 99.0 11.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.604 HG21 ' HG2' ' A' 1616 ' ' ARG . 2.6 pp -120.05 151.72 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 179.531 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' A' 1582 ' ' PHE . 25.9 m-85 -99.5 118.73 61.69 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.185 -179.534 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -84.67 -178.03 3.13 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.738 2.292 . . . . 0.0 112.436 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' 1584 ' ' LYS . 62.8 mt -135.78 95.13 3.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.77 179.56 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -116.76 179.53 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.797 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1623 ' ' SER . . . . . 0.724 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 47.3 t -74.5 -0.32 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.495 ' HG ' ' N ' ' A' 1625 ' ' THR . 0.4 OUTLIER -92.59 -34.09 14.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.521 179.79 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.495 ' N ' ' HG ' ' A' 1624 ' ' LEU . 19.1 m -56.15 124.9 19.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.198 -179.647 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.433 ' HB3' ' O ' ' A' 1602 ' ' MET . 45.1 t-105 -91.06 107.58 19.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' 1600 ' ' LEU . 5.3 mp -115.07 127.12 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.691 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.469 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 42.3 tt0 -132.09 114.53 14.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.453 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 15.5 t80 -57.92 120.86 9.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -98.89 102.39 15.04 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.225 179.694 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.95 98.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.714 2.276 . . . . 0.0 112.378 -179.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -61.43 -26.4 67.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.29 132.74 34.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 75.3 p -135.13 0.82 2.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 9.5 t -89.63 -2.08 58.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 84.1 m -69.44 -15.95 63.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 92.4 p 50.14 24.01 1.31 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.221 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.1 t -137.97 -35.18 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 74.7 m -102.95 4.85 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.817 ' HA ' HD21 ' A' 1643 ' ' LEU . 9.5 tt0 -70.11 -19.34 63.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -59.92 -20.68 58.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.312 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 58.1 t80 -80.05 -30.78 39.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.768 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.817 HD21 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -74.31 -14.91 60.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.48 -43.99 79.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -73.59 -21.43 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.723 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.561 HD12 HD12 ' A' 1643 ' ' LEU . 97.3 mt -79.85 -27.73 40.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.11 -28.29 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.723 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.42 2.16 42.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.428 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 89.2 t80 -113.5 -20.11 11.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -76.73 -64.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.49 -33.31 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.721 ' HA ' HD22 ' A' 1656 ' ' ASN . 20.7 t70 -51.8 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.284 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.682 HD11 ' HE3' ' A' 1531 ' ' LYS . 7.2 tp -57.22 -29.49 32.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.312 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1654 ' ' PHE . . . . . 0.542 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 16.5 t80 -71.66 -29.79 65.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.332 -179.697 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.542 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 89.6 mt -103.94 -75.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.501 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.721 HD22 ' HA ' ' A' 1652 ' ' ASP . 2.0 p30 -76.68 -56.8 4.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.656 -179.351 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.678 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 65.54 -139.4 39.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.406 -179.816 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.259 -0.876 . . . . 0.0 110.851 179.95 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.0 t -138.57 109.32 6.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 41.4 t-80 62.33 7.72 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.017 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 95.4 mmm 56.3 92.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -170.29 130.19 0.91 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -111.07 119.28 38.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 94.6 m -70.25 -140.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.312 179.137 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . -40.12 -29.37 0.2 Allowed Glycine 0 N--CA 1.455 -0.076 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.828 179.315 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 68.35 114.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.882 0.373 . . . . 0.0 110.942 179.487 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.463 ' HG2' ' HA ' ' A' 1591 ' ' ALA . 92.5 mmm -83.5 130.41 35.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -75.34 159.92 30.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.24 147.58 47.51 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.08 143.52 39.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' 1523 ' ' LEU . 89.9 mt 58.76 18.76 6.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.192 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.409 ' OD1' HG13 ' A' 1525 ' ' ILE . 14.6 t70 -63.05 100.48 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.747 179.802 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' 1521 ' ' LEU . 64.7 mt -95.53 11.78 31.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.055 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 80.8 p -78.89 -36.47 42.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.409 HG13 ' OD1' ' A' 1522 ' ' ASP . 75.9 mt -74.86 136.36 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.8 m -78.8 177.14 8.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -88.41 -11.83 44.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.545 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 43.8 mt-10 -103.56 -23.0 13.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 63.5 m -59.64 -41.83 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.034 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.495 ' NH1' ' HG2' ' A' 1628 ' ' GLU . 13.0 ptp180 -92.59 -14.16 28.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.795 179.851 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.59 ' HE2' HD12 ' A' 1653 ' ' ILE . 26.7 tptp -75.52 -39.31 58.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.053 -179.902 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.8 mt-30 -62.05 -12.6 19.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.969 0.414 . . . . 0.0 110.384 179.57 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.68 HG23 HG13 ' A' 1539 ' ' ILE . 61.7 m -92.57 -29.48 16.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.906 179.743 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.17 70.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.288 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.3 t -96.76 -3.22 42.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.698 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 39.3 ttpt -58.42 135.23 85.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.47 -42.47 34.89 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.83 2.353 . . . . 0.0 112.784 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.698 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 0.4 OUTLIER -58.33 -55.57 33.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.202 0.525 . . . . 0.0 110.491 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.68 HG13 HG23 ' A' 1533 ' ' THR . 17.3 mm -61.14 107.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.436 -179.693 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -71.85 -63.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.732 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.568 ' HE1' HG23 ' A' 1601 ' ' ILE . 5.1 p90 -109.29 159.08 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.652 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.475 ' HB3' ' SD ' ' A' 1602 ' ' MET . . . -147.66 96.72 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.039 179.512 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.737 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.6 OUTLIER -150.88 173.21 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.97 0.414 . . . . 0.0 111.681 -179.107 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.513 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 21.3 pttp -110.62 147.42 34.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.069 179.171 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.817 HG13 ' HA ' ' A' 1563 ' ' LEU . 13.3 m -138.52 -175.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.609 -178.772 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.9 t -146.37 120.68 9.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.717 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.17 139.76 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 62.3 p -121.07 -38.83 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.39 -179.774 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 75.7 m -142.73 150.76 40.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.63 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.9 mt -133.62 136.58 54.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.044 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 69.2 m -140.52 113.79 8.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.59 ' HA ' HG13 ' A' 1557 ' ' VAL . 89.5 t -101.84 129.95 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1553 ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' 1556 ' ' PHE . 45.5 mt-10 -110.09 -164.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1554 ' ' ASN . . . . . 0.573 ' N ' HD21 ' A' 1554 ' ' ASN . 0.8 OUTLIER -56.89 -60.45 3.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.903 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.652 HG13 HG23 ' A' 1586 ' ' VAL . 33.9 t -129.07 -36.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.843 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' 1553 ' ' GLU . 94.8 m-85 -90.38 103.73 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.042 -179.774 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.59 HG13 ' HA ' ' A' 1552 ' ' VAL . 26.2 t -91.65 150.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.641 ' HG2' HG21 ' A' 1583 ' ' ILE . 94.3 mttt -131.45 152.45 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.443 ' CE2' ' HE3' ' A' 1584 ' ' LYS . 98.5 m-85 -138.94 120.26 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 24.3 tptm -98.26 121.12 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.401 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -139.62 166.5 24.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.984 0.421 . . . . 0.0 111.623 -179.613 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.6 m -115.29 128.39 56.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.999 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.817 ' HA ' HG13 ' A' 1545 ' ' VAL . 10.2 tp -66.29 112.22 3.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.257 179.445 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.539 ' H ' ' HA ' ' A' 1545 ' ' VAL . 85.5 mt -66.16 -61.19 2.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.281 -179.358 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.2 t70 -153.94 149.23 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.812 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.737 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 56.4 mt -97.9 135.27 33.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.038 0.447 . . . . 0.0 112.052 -179.442 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.479 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 52.9 m-85 -112.97 -15.56 12.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.321 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.433 ' CB ' ' HB1' ' A' 1542 ' ' ALA . 7.3 tmtm? -157.51 106.18 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.285 179.13 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 47.2 m -40.02 143.49 0.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.382 -178.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.729 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.53 133.75 11.46 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.32 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.67 -24.13 65.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.774 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.657 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -94.59 67.39 3.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.434 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.455 HG11 ' O ' ' A' 1573 ' ' VAL . 7.2 p 36.9 79.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.829 -179.667 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.729 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -107.0 129.73 54.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.844 179.559 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.507 ' O ' HD21 ' A' 1563 ' ' LEU . 45.9 mt-10 -140.09 145.2 37.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.52 127.93 34.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.65 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.619 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.0 t70 64.77 38.0 7.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 40.6 t -91.39 -171.53 2.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.54 179.554 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -108.38 133.67 52.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.583 179.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.748 HD11 ' HE1' ' A' 1582 ' ' PHE . 28.8 pt -140.33 149.97 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 111.646 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 34.8 m -142.54 114.54 8.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.753 179.749 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.748 ' HE1' HD11 ' A' 1580 ' ' ILE . 88.9 m-85 -100.31 133.08 45.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.736 HD11 HD11 ' A' 1618 ' ' ILE . 50.1 pt -123.35 146.74 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.538 ' HD3' HD22 ' A' 1621 ' ' LEU . 21.8 pttp -149.26 -168.16 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.002 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -111.02 178.6 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.937 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 1586 ' ' VAL . . . . . 0.652 HG23 HG13 ' A' 1555 ' ' VAL . 24.2 m -90.78 -0.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 67.3 p -72.7 -22.16 60.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.989 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.51 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 75.8 m -58.13 122.11 12.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.74 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 94.3 m -104.16 -39.82 6.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.593 -179.61 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 12.7 m120 -96.13 14.5 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.42 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.491 ' HB2' ' HB3' ' A' 1588 ' ' CYS . . . -100.22 136.23 40.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 179.809 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -161.25 130.05 4.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 91.1 mt -135.87 135.83 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.653 HG13 ' HH ' ' A' 1599 ' ' TYR . 7.1 p -117.39 138.86 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.689 ' HZ2' ' HB2' ' A' 1595 ' ' LYS . 0.0 OUTLIER -72.97 129.74 38.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 -179.881 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 117.39 -51.05 0.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.804 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 168.47 14.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.058 0.456 . . . . 0.0 111.304 -179.733 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.419 ' HG2' HD11 ' A' 1564 ' ' LEU . 99.4 mt-30 -106.01 152.67 23.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.779 179.908 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.653 ' HH ' HG13 ' A' 1594 ' ' VAL . 97.0 m-85 -147.88 145.68 28.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.319 -179.832 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.502 ' O ' ' HA ' ' A' 1627 ' ' ILE . 57.8 tp -93.95 132.64 38.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.138 179.398 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.568 HG23 ' HE1' ' A' 1541 ' ' TYR . 78.0 mt -127.69 123.28 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.0 0.429 . . . . 0.0 111.926 -179.294 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.475 ' SD ' ' HB3' ' A' 1542 ' ' ALA . 28.1 mtm -140.67 117.62 11.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.053 179.2 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.621 ' N ' HG22 ' A' 1539 ' ' ILE . . . 177.32 -166.39 36.88 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.427 -179.676 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.636 ' HZ1' ' HA ' ' A' 1538 ' ' GLU . 73.8 mmtt -51.9 162.14 0.48 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.96 0.41 . . . . 0.0 111.408 -179.799 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.657 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 13.6 pt-20 -81.96 -178.69 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.727 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.493 ' HB3' ' CD2' ' A' 1619 ' ' TYR . . . -89.88 -179.79 5.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.044 179.73 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.559 ' H ' HD21 ' A' 1607 ' ' LEU . 1.4 pt? -127.97 117.4 21.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -83.33 105.2 14.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.7 HG13 ' HB3' ' A' 1615 ' ' PHE . 24.8 pt -110.92 -4.59 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.794 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.841 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 88.0 tttt -50.61 111.64 0.57 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.013 179.888 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 78.3 t80 -136.8 -24.35 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 45.3 t30 -129.43 -73.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -167.33 -37.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 46.8 t -78.07 -2.01 35.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.7 ' HB3' HG13 ' A' 1609 ' ' ILE . 76.9 m-85 -112.45 161.64 16.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.841 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 16.3 ptm180 179.56 -174.39 0.23 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.159 -179.677 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -65.85 -69.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.348 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.736 HD11 HD11 ' A' 1583 ' ' ILE . 16.4 pt 37.92 97.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.114 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' 1606 ' ' ALA . 30.9 m-85 -55.97 140.58 69.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.011 -179.679 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.87 175.57 11.14 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.611 2.207 . . . . 0.0 112.197 179.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.538 HD22 ' HD3' ' A' 1584 ' ' LYS . 41.6 tp -154.75 92.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.833 ' HB2' HD11 ' A' 1624 ' ' LEU . 9.6 m-20 -116.8 -160.32 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.777 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 77.6 p -83.68 14.33 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.509 -179.572 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.833 HD11 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -111.5 -13.47 13.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.726 0.298 . . . . 0.0 110.918 179.798 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.606 ' N ' HD13 ' A' 1624 ' ' LEU . 57.4 m -76.53 118.91 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.415 ' O ' ' HA ' ' A' 1601 ' ' ILE . 69.4 t-105 -81.85 110.89 17.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' 1600 ' ' LEU . 68.5 mt -123.27 119.45 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.495 ' HG2' ' NH1' ' A' 1530 ' ' ARG . 10.2 tp10 -123.71 139.52 53.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.98 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.442 ' O ' ' HD3' ' A' 1631 ' ' PRO . 10.6 t80 -65.3 123.38 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -106.67 95.52 12.3 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.24 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.512 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 78.3 Cg_exo -50.35 97.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.623 2.216 . . . . 0.0 112.427 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -62.17 -28.92 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1633 ' ' ASP . . . . . 0.563 ' HB3' ' HB3' ' A' 1636 ' ' CYS . 10.0 m-20 -87.63 153.6 21.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.3 p -132.7 -49.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 7.8 t -92.67 -11.24 34.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.563 ' HB3' ' HB3' ' A' 1633 ' ' ASP . 52.7 t -72.02 113.51 9.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 96.6 p 49.98 24.35 1.33 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.285 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.6 t 58.8 97.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 75.1 m -142.18 9.97 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.796 ' HA ' HD23 ' A' 1643 ' ' LEU . 4.1 pt20 -74.74 -1.55 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -66.09 -21.98 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.512 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 30.8 t80 -91.4 -37.06 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.789 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.9 mm? -64.55 -25.88 68.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -64.18 -31.28 72.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -79.16 -38.78 35.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 179.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 88.7 mt -70.43 -22.1 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.57 -47.28 84.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.771 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.4 -33.68 76.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.657 179.767 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.465 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 87.5 t80 -65.38 -36.71 84.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -71.86 -28.44 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.188 -179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -95.37 -4.97 44.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 -179.483 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.673 ' HA ' HD21 ' A' 1656 ' ' ASN . 18.8 t70 -96.86 -14.71 21.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.59 HD12 ' HE2' ' A' 1531 ' ' LYS . 6.4 tp -102.3 -30.91 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.734 179.668 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.9 t80 -82.52 -44.45 15.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.857 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.2 tt -90.22 -70.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 -179.74 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.673 HD21 ' HA ' ' A' 1652 ' ' ASP . 17.0 m-80 -61.26 -40.97 96.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.258 -179.815 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 61.55 -140.01 47.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.387 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.88 179.836 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 46.6 t -142.07 -38.9 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1510 ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' 1588 ' ' CYS . 64.3 m80 -78.74 -38.04 39.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.796 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1511 ' ' MET . . . . . 0.46 ' O ' ' HB3' ' A' 1512 ' ' ALA . 3.5 ppp? -103.36 -162.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1512 ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' 1511 ' ' MET . . . 77.66 -65.05 0.28 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.994 179.848 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.488 ' HB3' ' HB2' ' A' 1516 ' ' GLN . 8.6 m-20 -134.5 -68.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.811 179.509 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' 1588 ' ' CYS . 42.5 t 52.59 30.6 8.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.494 0.664 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.435 ' HA2' ' C ' ' A' 1622 ' ' ASP . . . 122.85 44.3 0.34 Allowed Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.631 -179.141 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.488 ' HB2' ' HB3' ' A' 1513 ' ' ASP . 28.2 tt0 -47.4 132.44 13.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.413 -0.393 . . . . 0.0 111.295 -179.605 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.403 ' HE2' HG23 ' A' 1627 ' ' ILE . 83.0 mtp -98.06 179.39 4.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.737 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -90.49 158.03 17.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.78 171.83 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.184 -179.8 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -81.26 -152.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.801 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' 1642 ' ' PHE . 86.1 mt -54.89 103.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -147.99 127.94 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' 1641 ' ' ALA . 88.0 mt -85.64 6.78 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 82.4 p -65.06 -30.03 70.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.75 133.36 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1526 ' ' SER . . . . . 0.437 ' HB2' ' OG1' ' A' 1529 ' ' THR . 54.6 m -88.21 -175.55 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -79.43 -62.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.646 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.4 mt-10 -58.26 -27.38 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 -179.895 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1529 ' ' THR . . . . . 0.437 ' OG1' ' HB2' ' A' 1526 ' ' SER . 89.0 m -58.93 -42.72 90.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -106.78 10.19 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.656 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 25.2 tptp -97.53 -36.04 10.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.763 179.871 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' 1528 ' ' GLU . 96.5 mt-30 -63.31 -10.6 16.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 179.531 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.806 ' HA ' ' HD3' ' A' 1536 ' ' LYS . 58.5 m -82.28 -28.19 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.798 179.61 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.32 -13.99 44.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.049 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 30.5 t -118.73 0.92 11.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.698 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.806 ' HD3' ' HA ' ' A' 1533 ' ' THR . 11.3 mtpp -59.41 156.23 32.05 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.077 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.34 -45.33 18.98 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.724 2.282 . . . . 0.0 112.72 -179.731 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.633 ' HG3' HD11 ' A' 1539 ' ' ILE . 6.2 pt-20 -73.8 3.58 6.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.289 -179.798 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.745 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -116.23 114.09 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.876 0.37 . . . . 0.0 110.751 179.299 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.418 ' HB3' ' N ' ' A' 1605 ' ' GLU . . . -95.46 -42.14 8.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.245 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.54 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.0 OUTLIER -125.13 164.21 20.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.284 0.564 . . . . 0.0 111.945 -179.424 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.531 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -155.06 97.83 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.755 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.585 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 5.5 p90 -139.85 176.54 8.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 0.0 111.83 -178.859 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.499 ' HZ1' ' NE2' ' A' 1598 ' ' GLN . 61.6 tttm -119.64 134.05 55.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.433 179.739 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.807 HG11 ' HA ' ' A' 1563 ' ' LEU . 6.1 m -133.36 177.88 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 111.521 -179.516 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.417 ' HB2' HD13 ' A' 1564 ' ' LEU . 9.5 t -140.16 129.79 24.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.633 179.629 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.405 ' CG2' ' HA ' ' A' 1595 ' ' LYS . 36.6 mm -65.11 140.19 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.778 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 53.2 p -131.62 -22.72 2.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.538 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.613 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 70.0 m -155.79 145.95 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.01 0.433 . . . . 0.0 111.235 -179.518 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.5 mt -130.65 121.27 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.6 m -120.31 139.01 53.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 6.9 p -113.52 136.69 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -112.59 -165.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.704 179.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.7 m120 -57.01 -42.04 79.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.428 HG21 ' H ' ' A' 1556 ' ' PHE . 5.2 m -144.27 -50.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.448 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.565 ' HE1' ' HE2' ' A' 1585 ' ' LYS . 83.9 m-85 -78.82 105.28 10.03 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 111.187 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' 1584 ' ' LYS . 7.7 p -81.64 136.28 23.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.689 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.591 ' HE2' HD13 ' A' 1583 ' ' ILE . 35.1 mmtp -108.77 154.1 22.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.092 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.837 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 91.9 m-85 -136.05 102.02 4.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.717 179.712 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.613 ' HB3' ' HB2' ' A' 1549 ' ' SER . 4.5 tppp? -77.47 123.64 26.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -143.39 162.06 36.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.42 . . . . 0.0 111.562 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.5 m -107.16 138.71 42.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.12 179.744 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.807 ' HA ' HG11 ' A' 1545 ' ' VAL . 19.7 tp -79.82 109.9 14.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.603 179.644 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' 1545 ' ' VAL . 9.6 mp -63.62 -47.97 79.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.158 -179.675 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' 1543 ' ' TYR . 19.3 t70 -169.45 161.06 9.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.585 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 55.7 mt -107.81 124.59 64.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.831 -179.801 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.475 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 96.6 m-85 -99.06 -15.96 18.84 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.515 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.531 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 24.0 tptm -154.63 110.66 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.818 179.324 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 89.0 m -43.67 146.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.889 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.717 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -105.03 135.25 12.45 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.447 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.54 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 14.2 mm-40 -59.53 -27.15 65.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.745 179.825 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.445 ' HB3' ' HB2' ' A' 1605 ' ' GLU . . . -95.03 67.97 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.557 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' 1573 ' ' VAL . 5.7 p 36.88 85.0 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.076 -179.79 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.717 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -106.46 133.3 51.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.647 179.393 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.52 ' O ' HD21 ' A' 1563 ' ' LEU . 10.1 tp10 -145.18 135.2 23.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.644 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 96.3 mttt -50.4 136.29 20.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.594 ' HA ' ' O ' ' A' 1563 ' ' LEU . 16.1 t70 64.91 40.22 5.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.957 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.522 ' H ' ' HB3' ' A' 1563 ' ' LEU . 30.1 t -87.2 -167.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.466 179.524 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -122.52 113.07 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 179.751 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.625 HD13 HG12 ' A' 1545 ' ' VAL . 28.7 pt -110.49 145.84 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.667 -179.552 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 17.8 m -129.97 98.1 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.45 179.374 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.867 ' HB3' HD21 ' A' 1621 ' ' LEU . 25.0 m-85 -65.19 153.69 40.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 -179.67 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.664 HG22 HD12 ' A' 1618 ' ' ILE . 6.1 tt -144.08 106.84 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.812 179.766 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.567 ' HG2' ' N ' ' A' 1585 ' ' LYS . 33.7 ttpt -125.53 161.76 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.828 -179.478 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.567 ' N ' ' HG2' ' A' 1584 ' ' LYS . 0.4 OUTLIER -91.19 136.98 32.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 179.478 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 31.4 m -77.8 9.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 -179.791 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 8.4 t -117.01 9.16 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.29 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' 1514 ' ' CYS . 62.6 m -66.29 -38.76 88.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.995 0.426 . . . . 0.0 111.181 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 6.8 m 56.81 51.97 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.328 179.802 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.447 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 25.3 t-20 -164.83 -71.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.094 179.6 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -61.42 136.55 58.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.007 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -157.74 103.82 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' 1593 ' ' LEU . 3.8 mp -100.09 170.65 8.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.671 179.707 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.483 ' H ' ' HH ' ' A' 1599 ' ' TYR . 7.6 p -136.55 141.18 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.405 ' HA ' ' CG2' ' A' 1547 ' ' ILE . 26.6 ttpp -70.44 145.05 51.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 -179.807 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1596 ' ' GLY . . . . . 0.409 ' O ' ' HD2' ' A' 1632 ' ' ARG . . . 100.02 -31.91 7.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.677 179.871 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.46 168.91 16.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.906 0.384 . . . . 0.0 111.332 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.532 ' NE2' ' HA ' ' A' 1632 ' ' ARG . 20.8 mt-30 -114.08 144.64 42.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.589 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.483 ' HH ' ' H ' ' A' 1594 ' ' VAL . 94.3 m-85 -138.67 158.98 43.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.027 0.442 . . . . 0.0 111.498 -179.583 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.442 ' C ' HD11 ' A' 1601 ' ' ILE . 59.2 tp -105.89 134.88 48.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.31 179.513 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.515 HD11 ' N ' ' A' 1601 ' ' ILE . 3.3 mp -118.33 131.51 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 111.771 -179.261 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.736 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 75.3 mtp -146.03 107.81 4.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.209 179.5 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.745 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -177.67 -175.0 44.52 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 119.907 -1.139 . . . . 0.0 113.518 -179.575 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' 1605 ' ' GLU . 4.7 tppp? -54.4 161.32 1.43 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.789 0.328 . . . . 0.0 111.26 -179.679 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.1 pt-20 -58.45 176.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.363 -179.796 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -76.97 177.01 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.344 -179.785 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.599 HD23 ' HD3' ' A' 1620 ' ' PRO . 4.3 mm? -88.71 -158.55 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.832 179.822 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.64 ' HA ' ' HD1' ' A' 1617 ' ' TYR . 8.9 tt0 -161.16 86.16 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.808 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.488 HD12 ' HE ' ' A' 1616 ' ' ARG . 1.5 mt -61.57 -55.45 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.325 -179.149 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.999 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 22.2 pttp 38.56 45.99 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.255 179.41 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 72.2 t80 -107.27 159.77 16.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.051 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 50.2 t-20 62.88 -87.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.028 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -169.8 11.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 55.3 m -89.64 -47.16 8.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.999 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 34.9 m-85 59.5 109.53 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.843 -179.752 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.488 ' HE ' HD12 ' A' 1609 ' ' ILE . 38.8 ptt180 -161.95 171.77 17.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.668 -179.598 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.64 ' HD1' ' HA ' ' A' 1608 ' ' GLN . 7.5 m-85 -118.54 158.33 25.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.732 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.664 HD12 HG22 ' A' 1583 ' ' ILE . 36.1 pt -142.0 174.07 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.423 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' 1582 ' ' PHE . 45.1 m-85 -129.12 113.6 18.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.121 -179.535 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1620 ' ' PRO . . . . . 0.645 ' HA ' HG23 ' A' 1583 ' ' ILE . 84.4 Cg_endo -80.45 168.24 18.38 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.789 2.326 . . . . 0.0 112.375 -179.828 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.867 HD21 ' HB3' ' A' 1582 ' ' PHE . 2.8 mm? -120.03 97.21 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.435 ' C ' ' HA2' ' A' 1515 ' ' GLY . 10.6 m-20 -125.26 176.44 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 43.2 t -64.69 -25.87 68.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.532 HD11 ' N ' ' A' 1625 ' ' THR . 4.5 pp -72.72 -32.71 65.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.633 179.781 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.532 ' N ' HD11 ' A' 1624 ' ' LEU . 54.5 m -78.62 104.04 8.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.736 ' HB3' ' HB2' ' A' 1602 ' ' MET . 45.0 t-105 -61.68 119.84 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.862 179.902 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.507 HD12 HD12 ' A' 1621 ' ' LEU . 60.7 mt -127.65 108.92 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.786 179.849 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -114.89 147.68 39.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 12.3 t80 -90.35 110.09 21.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.0 t90 -98.13 107.12 39.36 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.259 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.465 ' HB2' HD22 ' A' 1643 ' ' LEU . 71.6 Cg_exo -48.49 106.48 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.593 2.195 . . . . 0.0 112.499 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1632 ' ' ARG . . . . . 0.532 ' HA ' ' NE2' ' A' 1598 ' ' GLN . 78.5 ttt180 -52.56 -33.86 47.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.023 179.831 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1633 ' ' ASP . . . . . 0.461 ' HB2' ' HG ' ' A' 1638 ' ' SER . 10.2 m-20 -98.25 168.49 10.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.822 HG21 HD11 ' A' 1643 ' ' LEU . 64.1 p -132.01 -16.04 2.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 73.1 p -137.3 7.51 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.336 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.6 t -110.13 84.78 1.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.103 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 93.0 p 47.49 26.91 0.86 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.427 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1638 ' ' SER . . . . . 0.461 ' HG ' ' HB2' ' A' 1633 ' ' ASP . 55.6 m -114.23 -31.7 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.947 -179.835 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 42.1 t 64.36 156.63 0.08 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.487 ' HG2' HD12 ' A' 1643 ' ' LEU . 49.8 mt-30 -111.9 18.86 18.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.893 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1641 ' ' ALA . . . . . 0.409 ' O ' HD21 ' A' 1523 ' ' LEU . . . -61.18 -22.79 65.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.583 ' HB3' HD21 ' A' 1521 ' ' LEU . 77.4 t80 -117.59 -14.17 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.639 179.888 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.822 HD11 HG21 ' A' 1634 ' ' THR . 62.8 mt -81.72 5.23 19.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -106.64 -56.67 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -64.29 -22.02 66.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 57.5 tp -85.52 -23.58 27.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.728 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.06 -38.11 78.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.594 179.881 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.28 -32.9 73.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.64 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.656 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 75.9 t80 -61.89 -35.09 77.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.31 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.203 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -78.54 -5.4 52.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.162 -179.441 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.785 ' HA ' HD22 ' A' 1656 ' ' ASN . 17.2 t70 -96.69 -9.85 28.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.721 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.859 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 8.3 tp -118.18 -21.14 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.128 0.489 . . . . 0.0 110.464 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -87.38 -30.21 20.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.005 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 2.6 tm? -99.24 -72.95 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.078 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.785 HD22 ' HA ' ' A' 1652 ' ' ASP . 1.7 p30 -82.97 -39.41 21.4 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.705 -179.198 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.859 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 62.3 -132.89 45.34 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.409 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.901 179.893 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.2 p -130.34 -4.27 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -146.09 117.52 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.4 ptt? -72.98 -179.95 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -140.29 171.95 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -71.39 93.4 1.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.699 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 18.2 t -86.24 126.88 34.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.65 179.717 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 86.7 -50.63 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.098 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.549 ' H ' HD22 ' A' 1590 ' ' ASN . 36.0 tt0 55.19 100.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.349 . . . . 0.0 111.37 179.849 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.438 ' HE2' ' HA ' ' A' 1591 ' ' ALA . 26.4 mmt -90.6 150.39 21.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -93.0 165.3 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.62 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 46.2 mt-10 -64.76 153.82 38.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.9 133.46 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' 1523 ' ' LEU . 86.6 mt 57.82 22.46 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.62 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 21.9 t70 -60.39 103.81 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.762 179.858 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' 1521 ' ' LEU . 74.7 mt -102.74 97.47 7.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.5 t -174.54 -19.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.999 179.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 63.5 mt -76.89 137.76 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 49.0 m -76.09 177.92 6.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -89.52 -3.78 58.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' 1532 ' ' GLN . 15.4 mm-40 -104.07 -23.43 13.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.039 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 61.9 m -67.23 -37.04 82.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.433 ' O ' ' HE3' ' A' 1602 ' ' MET . 7.4 ptp180 -98.51 8.47 44.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 -179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.564 ' HE2' HD11 ' A' 1653 ' ' ILE . 26.3 tptp -106.35 -42.1 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.998 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.2 mt-30 -61.6 -18.8 60.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.969 0.414 . . . . 0.0 110.508 179.676 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.715 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 41.6 m -79.2 -25.08 42.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.809 179.754 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -65.82 -54.35 28.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 179.853 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1535 ' ' CYS . . . . . 0.457 ' HA ' ' HE3' ' A' 1568 ' ' LYS . 34.2 t -84.67 9.58 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.688 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.715 ' HE3' ' HA ' ' A' 1533 ' ' THR . 3.5 tppp? -57.44 135.34 81.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.83 -22.35 23.39 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.511 2.141 . . . . 0.0 112.112 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.748 ' HG3' ' HE2' ' A' 1604 ' ' LYS . 33.7 tt0 -86.86 -58.54 2.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.818 179.794 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.859 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.8 mp -59.43 121.61 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.093 -179.79 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.567 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -83.59 -60.71 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.474 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.508 ' HE1' HG21 ' A' 1601 ' ' ILE . 3.6 p90 -107.13 155.63 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.09 0.472 . . . . 0.0 111.671 -179.412 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.506 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.08 100.52 3.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.382 179.8 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.764 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.8 p90 -155.05 170.38 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.028 0.442 . . . . 0.0 111.683 -179.444 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 65.8 pttt -106.92 141.35 38.27 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.164 179.407 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.857 HG13 ' HA ' ' A' 1563 ' ' LEU . 19.5 m -136.91 -173.82 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.638 -179.363 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.585 ' HB2' ' HG3' ' A' 1598 ' ' GLN . 23.3 t -152.2 128.27 10.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.77 179.763 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.438 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 43.1 mm -61.95 137.54 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.72 179.906 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1548 ' ' THR . . . . . 0.45 ' O ' ' HE2' ' A' 1595 ' ' LYS . 70.4 p -133.49 -13.03 2.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.68 -179.591 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.643 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 41.3 t -154.64 154.44 32.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 111.497 -179.911 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.447 HG12 ' HD1' ' A' 1559 ' ' TYR . 78.4 mt -141.16 140.06 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 83.3 m -147.6 116.58 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.7 p -96.15 140.84 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -109.68 -168.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.746 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1554 ' ' ASN . . . . . 0.491 ' ND2' HG21 ' A' 1555 ' ' VAL . 16.7 p-10 -59.49 -59.36 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.59 HG11 ' HB ' ' A' 1586 ' ' VAL . 25.3 t -113.4 -49.95 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.078 -179.672 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -84.14 176.6 8.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.043 -179.893 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.829 ' HB ' ' HB3' ' A' 1584 ' ' LYS . 13.1 t -135.34 161.53 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.552 179.892 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.882 ' HG2' HG21 ' A' 1583 ' ' ILE . 96.7 mttt -142.61 143.54 32.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.447 ' HD1' HG12 ' A' 1550 ' ' ILE . 94.1 m-85 -133.19 131.71 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.643 ' HB3' ' HB3' ' A' 1549 ' ' SER . 4.9 tmtp? -109.58 100.97 9.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.353 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -113.13 168.05 10.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.527 -179.541 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.8 m -113.57 138.2 50.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.91 179.527 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.857 ' HA ' HG13 ' A' 1545 ' ' VAL . 2.4 tt -73.49 137.79 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.85 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.597 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.1 mp -94.72 -47.72 6.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.8 t70 -165.54 137.52 4.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.764 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 69.0 mt -97.2 125.37 50.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.972 0.415 . . . . 0.0 111.866 -179.595 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.479 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 83.3 m-85 -98.98 -12.81 20.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.404 178.629 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.506 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 64.8 tttm -160.39 112.48 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.95 179.393 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 14.3 t -46.51 156.68 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 111.774 -179.371 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.515 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -101.76 140.91 15.08 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.161 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.567 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 38.5 mt-10 -51.88 -30.51 24.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 0.0 110.221 179.669 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -92.9 47.73 1.3 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.77 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' 1573 ' ' VAL . 7.6 p 41.22 84.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.796 -179.349 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.515 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -84.73 135.12 34.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.629 179.671 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.703 ' HB3' ' HB2' ' A' 1578 ' ' SER . 41.1 tt0 -114.97 139.41 49.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.835 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.703 ' HZ2' ' HB3' ' A' 1576 ' ' LYS . 5.9 ttpm? -61.25 125.39 23.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.31 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.712 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.3 t70 65.83 28.63 10.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.075 0.464 . . . . 0.0 110.807 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.703 ' HB2' ' HB3' ' A' 1575 ' ' GLU . 30.5 t -71.36 -178.46 2.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.621 179.385 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -103.86 104.66 14.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.655 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.696 HD13 HG11 ' A' 1545 ' ' VAL . 32.2 pt -94.87 146.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.341 -179.673 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1581 ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' 1559 ' ' TYR . 39.8 m -137.1 105.48 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.808 179.662 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.643 ' HE1' HD11 ' A' 1580 ' ' ILE . 62.2 m-85 -101.64 121.91 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 -179.783 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.882 HG21 ' HG2' ' A' 1558 ' ' LYS . 43.4 pt -97.57 128.59 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 179.799 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.829 ' HB3' ' HB ' ' A' 1557 ' ' VAL . 40.8 ttmt -92.46 152.17 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.921 -179.797 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.483 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 97.4 mttt -92.85 178.98 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.635 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1586 ' ' VAL . . . . . 0.59 ' HB ' HG11 ' A' 1555 ' ' VAL . 9.0 p -89.04 4.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.46 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.8 p -109.75 -36.32 5.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.409 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.699 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.1 m -58.97 101.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.029 -179.815 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 6.9 t -105.42 -29.63 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.07 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.549 HD22 ' H ' ' A' 1516 ' ' GLN . 2.4 p-10 -83.63 -24.02 31.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.438 ' HA ' ' HE2' ' A' 1517 ' ' MET . . . -83.56 103.87 13.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1592 ' ' GLU . . . . . 0.409 ' O ' ' HE1' ' A' 1517 ' ' MET . 21.5 mm-40 -121.61 151.08 40.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.967 -179.859 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 95.9 mt -130.06 114.73 16.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 179.81 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 59.7 t -96.03 139.18 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 -179.896 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.6 tttm -80.15 139.84 36.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.817 179.887 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 111.94 -68.72 0.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.53 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.445 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 14.7 ptp180 -66.42 178.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.678 HE22 ' HA ' ' A' 1632 ' ' ARG . 1.0 OUTLIER -110.07 165.52 11.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 111.3 -179.615 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.445 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 71.9 m-85 -149.63 134.04 17.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.649 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 60.4 tp -79.29 132.17 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.276 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.508 HG21 ' HE1' ' A' 1541 ' ' TYR . 44.5 mm -123.33 119.01 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.986 0.422 . . . . 0.0 111.689 -179.467 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.433 ' HE3' ' O ' ' A' 1530 ' ' ARG . 77.8 mtp -141.23 113.22 7.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.255 179.495 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.859 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 177.57 -170.29 42.67 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.006 -1.092 . . . . 0.0 113.425 -179.636 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.748 ' HE2' ' HG3' ' A' 1538 ' ' GLU . 65.6 mmtt -50.54 157.96 0.68 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.861 0.362 . . . . 0.0 111.258 -179.915 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.415 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 0.0 OUTLIER -71.9 -179.88 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.782 179.899 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -90.44 155.79 18.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.452 ' O ' ' HA ' ' A' 1617 ' ' TYR . 8.6 mp -60.37 174.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.837 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.719 ' HG3' ' HE1' ' A' 1617 ' ' TYR . 59.5 tt0 -141.87 20.45 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.701 -179.758 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.563 ' C ' ' HA ' ' A' 1615 ' ' PHE . 2.3 pp -134.98 -7.21 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 112.01 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.586 ' HB2' ' N ' ' A' 1616 ' ' ARG . 24.0 tptm 55.65 -84.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.024 0.44 . . . . 0.0 111.144 -179.833 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1611 ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' 1609 ' ' ILE . 82.0 t80 -147.47 -85.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 18.7 m120 -154.02 135.39 14.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 58.25 16.46 3.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.352 179.777 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 64.3 p -128.01 -64.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.563 ' HA ' ' C ' ' A' 1609 ' ' ILE . 78.5 m-85 63.35 120.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.222 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.586 ' N ' ' HB2' ' A' 1610 ' ' LYS . 3.7 tmt_? -172.15 153.03 2.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.66 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.719 ' HE1' ' HG3' ' A' 1608 ' ' GLN . 11.3 m-30 -71.29 116.6 11.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.307 -179.722 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 47.2 mm -125.27 131.12 72.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -92.65 108.22 29.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.0 171.92 16.96 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.555 2.17 . . . . 0.0 112.458 -179.891 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' 1582 ' ' PHE . 99.0 mt -143.92 110.14 5.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' 1624 ' ' LEU . 5.5 p-10 -141.43 -160.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.053 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.3 p -82.51 42.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.614 -179.504 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' 1625 ' ' THR . 0.0 OUTLIER -143.47 -17.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 179.636 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.484 ' N ' HD23 ' A' 1624 ' ' LEU . 40.0 m -73.05 118.86 16.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.267 -179.777 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -84.55 100.6 11.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.627 179.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.462 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.0 mt -112.64 128.28 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.649 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 40.8 tt0 -128.17 155.96 43.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 22.6 t80 -90.75 114.69 27.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.821 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.657 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 5.2 t-105 -94.71 111.21 53.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.371 179.625 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.567 ' HB3' ' SG ' ' A' 1639 ' ' CYS . 79.4 Cg_exo -47.56 104.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.47 2.113 . . . . 0.0 112.548 -179.807 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1632 ' ' ARG . . . . . 0.678 ' HA ' HE22 ' A' 1598 ' ' GLN . 79.7 ttt180 -59.35 -27.43 65.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.792 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.11 146.47 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.515 HG23 ' HG ' ' A' 1643 ' ' LEU . 71.1 p -134.75 -6.0 2.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 73.5 p -77.86 -7.75 57.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.471 ' HB3' ' HB3' ' A' 1639 ' ' CYS . 51.1 t -76.43 145.79 39.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 52.4 m -90.83 13.01 17.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.5 t -133.84 -25.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.567 ' SG ' ' HB3' ' A' 1631 ' ' PRO . 51.2 t -92.86 -22.27 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.529 ' HA ' HD23 ' A' 1643 ' ' LEU . 4.8 tp-100 -62.91 -27.71 69.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -54.45 -33.18 59.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.533 -179.495 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 36.6 t80 -68.52 -40.97 80.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 110.817 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.9 mm? -67.7 -17.95 64.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.03 -49.74 22.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.86 -14.17 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.651 179.848 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 59.5 tp -96.29 -22.29 17.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.67 -33.76 73.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.22 -40.0 88.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.691 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.519 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 84.1 t80 -64.55 -30.38 71.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -66.67 -58.51 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.349 -179.868 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -70.64 -8.69 53.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.272 -179.451 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.512 ' HA ' HD21 ' A' 1656 ' ' ASN . 17.2 t70 -77.22 -71.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.696 HD12 ' HA2' ' A' 1657 ' ' GLY . 7.0 tp -57.7 -29.96 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.413 . . . . 0.0 110.998 179.869 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.06 -49.68 59.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.98 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.67 -71.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.648 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.512 HD21 ' HA ' ' A' 1652 ' ' ASP . 20.4 m-80 -56.82 -72.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.226 -179.871 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.696 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.3 -176.36 47.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 -179.865 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.893 -179.969 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.2 t -86.56 147.92 25.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -84.41 158.28 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 86.1 mtp 60.1 99.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -111.81 131.91 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.043 179.926 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -94.0 127.87 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.037 -179.902 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.515 ' HB3' ' HB2' ' A' 1588 ' ' CYS . 12.0 p -88.89 21.44 3.08 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.468 0.651 . . . . 0.0 110.144 179.595 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.806 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 132.44 78.2 0.14 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.246 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -54.37 103.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.633 ' HE2' ' HA ' ' A' 1591 ' ' ALA . 21.6 ptp -69.13 168.04 14.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.47 -178.32 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.98 -178.7 1.04 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.74 -88.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 67.1 mt -98.16 100.73 12.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -145.83 110.26 5.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 48.3 mt -78.6 6.11 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.639 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 74.4 p -67.16 -21.59 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 66.5 mt -98.46 135.8 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.4 t -91.4 165.1 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -68.16 -24.33 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.2 mt-10 -93.59 -26.77 16.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 79.1 m -61.7 -41.88 98.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.428 ' NH1' ' HG2' ' A' 1628 ' ' GLU . 16.0 ptp180 -85.79 -11.06 54.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.557 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.3 tmtp? -83.81 -26.84 29.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.48 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.0 mm-40 -53.53 -22.61 8.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 179.628 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.894 ' HA ' ' HD3' ' A' 1536 ' ' LYS . 62.4 m -82.53 -34.93 27.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.741 179.61 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.431 ' HA ' HG21 ' A' 1539 ' ' ILE . . . -63.06 -10.56 14.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1535 ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 44.2 t -120.38 65.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.056 0.455 . . . . 0.0 110.739 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.894 ' HD3' ' HA ' ' A' 1533 ' ' THR . 14.9 mtpp -143.37 155.68 60.96 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.01 -34.53 80.36 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.624 ' HG3' HD13 ' A' 1539 ' ' ILE . 4.4 pt-20 -77.3 -6.07 51.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.843 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.1 mp -110.27 115.74 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.645 179.331 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.411 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -92.96 -54.95 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.696 -179.783 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.491 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.9 p90 -116.46 167.91 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.234 0.54 . . . . 0.0 112.171 -178.915 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' 1602 ' ' MET . . . -159.0 107.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.798 179.095 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.563 ' HA ' ' HD1' ' A' 1567 ' ' TYR . 1.2 p90 -157.83 178.32 10.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.133 0.492 . . . . 0.0 111.774 -178.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' 1564 ' ' LEU . 26.8 ttpp -109.61 132.06 54.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.315 179.732 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.837 HG12 ' HA ' ' A' 1563 ' ' LEU . 29.9 m -131.53 178.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.491 -179.674 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.45 ' HB3' HD23 ' A' 1564 ' ' LEU . 22.9 t -147.95 124.88 11.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.716 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.8 mm -61.53 145.81 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 -179.896 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 6.9 t -150.1 -10.37 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.256 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.675 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 54.4 m -145.61 137.07 25.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.036 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.506 HG12 ' HD1' ' A' 1559 ' ' TYR . 74.3 mt -135.57 128.87 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.1 m -114.78 110.38 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 90.2 t -110.43 122.52 65.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.666 179.604 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -108.81 -68.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -165.63 -58.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 27.7 t -109.96 -50.98 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -87.29 120.03 28.15 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.901 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 44.4 t -109.28 147.93 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.829 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.3 mttt -131.65 152.97 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.014 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.506 ' HD1' HG12 ' A' 1550 ' ' ILE . 97.2 m-85 -137.4 98.71 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.675 ' HB2' ' HB2' ' A' 1549 ' ' SER . 61.1 mttp -85.95 126.15 33.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.335 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -132.42 177.93 7.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 111.718 -179.442 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -117.64 145.71 44.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.733 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.837 ' HA ' HG12 ' A' 1545 ' ' VAL . 15.8 tp -77.71 119.61 21.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.971 0.415 . . . . 0.0 110.289 179.181 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' 1545 ' ' VAL . 0.7 OUTLIER -78.32 -38.39 42.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.773 -179.681 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.4 t70 -172.71 146.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.592 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.729 HG12 HD23 ' A' 1563 ' ' LEU . 52.8 mt -90.49 130.52 39.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.745 -179.767 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.563 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 64.6 m-85 -111.52 -19.8 12.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.128 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.481 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 63.4 tttm -160.3 107.05 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.568 179.116 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 41.7 m -40.81 141.12 0.62 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.055 -179.167 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.687 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -104.22 135.26 12.36 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.397 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.05 -19.25 51.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.47 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.481 ' HA ' ' HH ' ' A' 1617 ' ' TYR . . . -85.03 54.1 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.434 179.336 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' 1573 ' ' VAL . 9.3 p 42.89 39.4 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.594 -179.804 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.687 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -63.37 136.69 57.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.77 179.664 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.577 ' C ' HD11 ' A' 1566 ' ' ILE . 12.8 pt-20 -145.99 154.38 41.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.767 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.547 ' N ' HD11 ' A' 1566 ' ' ILE . 55.8 mtpt -47.01 131.23 12.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.308 -179.508 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.667 ' HA ' ' O ' ' A' 1563 ' ' LEU . 5.5 p-10 42.5 63.36 1.44 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.484 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.625 ' H ' ' HB3' ' A' 1563 ' ' LEU . 51.9 p -98.98 -167.35 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.744 179.662 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -111.54 133.1 54.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.517 179.607 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.772 HD12 ' HE2' ' A' 1582 ' ' PHE . 16.5 pt -134.2 149.7 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.455 -179.464 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 27.6 m -136.62 102.08 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.838 179.703 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.772 ' HE2' HD12 ' A' 1580 ' ' ILE . 78.5 m-85 -93.7 114.99 27.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.167 -179.881 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.829 HG22 ' HG2' ' A' 1558 ' ' LYS . 42.7 pt -100.84 144.85 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.612 ' HE3' ' HB3' ' A' 1588 ' ' CYS . 0.1 OUTLIER -149.91 162.44 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 -179.798 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -86.38 156.1 20.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.7 p -61.71 -27.61 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.9 p -63.93 -23.75 67.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.612 ' HB3' ' HE3' ' A' 1584 ' ' LYS . 34.3 t -63.4 91.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 8.8 t -104.75 -0.76 27.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -97.03 -24.5 15.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.034 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.633 ' HA ' ' HE2' ' A' 1517 ' ' MET . . . -118.93 106.15 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.227 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -125.18 142.47 51.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.73 179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.631 HD13 HD12 ' A' 1547 ' ' ILE . 80.4 mt -116.31 158.1 23.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.832 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' 1597 ' ' ARG . 47.0 t -119.88 139.56 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.035 -179.871 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 62.8 tttp -63.82 107.1 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.611 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 90.93 43.53 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.181 -179.726 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.546 HH21 ' HH ' ' A' 1629 ' ' TYR . 10.6 tpt180 -127.56 145.53 50.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.608 0.242 . . . . 0.0 110.741 -179.789 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -91.55 129.88 37.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' 1597 ' ' ARG . 73.4 m-85 -137.39 159.25 42.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.259 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' 1601 ' ' ILE . 3.0 tt -102.61 129.59 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.884 179.396 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.511 ' N ' HD22 ' A' 1600 ' ' LEU . 93.8 mt -134.73 126.95 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.093 0.473 . . . . 0.0 112.087 -179.212 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.587 ' HG3' ' HB3' ' A' 1626 ' ' TRP . 0.2 OUTLIER -153.65 115.42 4.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.425 178.898 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.843 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 173.99 -157.25 25.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.333 -179.699 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 23.0 tptm -44.6 154.07 0.14 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.017 0.437 . . . . 0.0 111.956 -179.302 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.44 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 13.7 pt-20 -92.53 -167.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -119.59 124.56 46.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.032 179.811 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' 1607 ' ' LEU . 3.4 mm? -108.46 108.63 19.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.741 ' HG3' ' H ' ' A' 1618 ' ' ILE . 17.8 mm-40 -147.39 -85.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.099 0.476 . . . . 0.0 110.634 -179.723 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 45.0 mt 63.77 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.694 179.472 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.682 ' HA ' ' HB2' ' A' 1615 ' ' PHE . 62.8 tttp -51.75 126.05 16.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.928 179.803 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -150.22 95.72 2.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.769 -179.816 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 11.6 m120 56.56 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.349 178.768 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -39.96 -83.98 0.01 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.08 -179.081 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 78.0 p -179.23 101.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 111.274 -179.621 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.682 ' HB2' ' HA ' ' A' 1610 ' ' LYS . 97.3 m-85 -145.97 -165.39 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.421 179.485 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' 1615 ' ' PHE . 78.1 ttt180 170.26 -90.62 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.358 -179.303 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.6 ' HD1' ' HB2' ' A' 1608 ' ' GLN . 0.1 OUTLIER 173.55 98.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.091 179.395 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.741 ' H ' ' HG3' ' A' 1608 ' ' GLN . 38.8 pt -120.49 128.31 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.494 179.349 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.588 ' O ' ' HA ' ' A' 1582 ' ' PHE . 6.1 m-85 -82.42 127.29 71.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.166 -179.188 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -77.36 170.61 19.13 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.586 2.191 . . . . 0.0 112.243 179.8 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' 1584 ' ' LYS . 29.5 tp -139.68 94.94 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -122.93 -172.9 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1623 ' ' SER . . . . . 0.806 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 47.3 t -83.27 7.24 16.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.598 HD11 ' N ' ' A' 1625 ' ' THR . 4.6 pp -92.78 -30.81 15.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 179.828 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.598 ' N ' HD11 ' A' 1624 ' ' LEU . 52.9 m -79.65 134.06 36.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.343 -179.645 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.587 ' HB3' ' HG3' ' A' 1602 ' ' MET . 59.5 t-105 -77.69 127.62 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.504 HD12 HD13 ' A' 1621 ' ' LEU . 60.8 mt -132.71 114.55 22.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.831 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.428 ' HG2' ' NH1' ' A' 1530 ' ' ARG . 9.9 tp10 -130.48 118.13 20.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.546 ' HH ' HH21 ' A' 1597 ' ' ARG . 29.2 t80 -56.68 132.59 52.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 179.897 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -100.39 104.24 28.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.216 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.712 ' HB2' HD12 ' A' 1643 ' ' LEU . 74.6 Cg_exo -49.35 102.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.633 2.222 . . . . 0.0 112.581 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -77.59 -26.1 50.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -90.98 132.1 36.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 75.0 p -133.08 -20.78 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 78.1 p -95.56 11.48 32.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 49.6 t -59.08 -55.74 31.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 78.4 p -147.9 -63.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.9 p -167.18 7.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 81.5 m -70.94 95.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.671 ' HA ' HD22 ' A' 1643 ' ' LEU . 47.8 mt-30 -141.66 0.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.73 69.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.229 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.475 ' O ' ' HG ' ' A' 1646 ' ' LEU . 56.2 t80 -70.95 -36.71 72.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.712 HD12 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -66.41 -42.01 88.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.83 92.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.007 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.1 -30.18 71.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1642 ' ' PHE . 92.0 mt -70.55 -29.71 66.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.696 179.768 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.53 -32.45 73.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.553 179.663 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.93 -31.69 71.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.595 179.666 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' 1653 ' ' ILE . 77.0 t80 -74.25 -33.75 63.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.707 179.824 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.58 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.425 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -99.65 -4.67 30.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.508 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.536 ' O ' ' HB2' ' A' 1656 ' ' ASN . 19.8 t70 -95.59 -13.98 23.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.48 HG21 ' O ' ' A' 1649 ' ' PHE . 9.5 tp -111.41 -25.65 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.817 179.865 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.3 t80 -85.91 -50.11 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.438 HD21 ' O ' ' A' 1655 ' ' LEU . 4.9 tt -73.67 -48.31 33.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.527 -179.578 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.641 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -78.37 -71.37 0.43 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.145 -179.626 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 66.58 86.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.398 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A 1658 ' ' CYS . . . . . 0.48 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 42.9 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 48.2 t -139.6 118.14 12.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.324 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 15.6 p80 -101.94 -5.59 24.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 -179.916 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 27.6 ttt -157.9 118.98 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -136.42 -2.63 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.45 ' HA ' ' CG ' ' A' 1590 ' ' ASN . 8.3 m-20 59.99 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.371 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.568 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 37.0 t 48.84 78.75 0.08 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.063 0.459 . . . . 0.0 110.236 -179.34 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 102.28 43.62 2.0 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.607 -179.089 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.402 ' HG2' ' HB3' ' A' 1513 ' ' ASP . 95.8 mt-30 -45.5 109.34 0.17 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.414 -0.393 . . . . 0.0 111.115 -179.64 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.445 ' HE2' ' HA ' ' A' 1591 ' ' ALA . 19.0 ptp -100.42 -176.8 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -103.78 173.58 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -83.74 42.63 0.86 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 58.54 -90.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.066 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 32.9 mt -105.38 96.66 6.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -142.97 122.26 13.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 179.673 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' 1525 ' ' ILE . 84.9 mt -77.61 -133.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.471 179.839 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 43.5 p 52.25 20.62 1.4 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.739 0.305 . . . . 0.0 111.482 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' 1523 ' ' LEU . 78.6 mt -131.28 107.21 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 179.85 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 79.9 p -73.11 174.44 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -79.33 -5.59 54.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -100.14 -2.42 34.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.1 m -85.9 -31.28 22.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.502 ' O ' ' HE1' ' A' 1602 ' ' MET . 46.1 mtm180 -99.3 -32.17 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1531 ' ' LYS . . . . . . . . . . . . . 60.7 tttm -57.13 -40.37 76.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.16 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' 1536 ' ' LYS . 29.4 mm-40 -58.76 -23.15 59.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.052 0.453 . . . . 0.0 110.055 179.387 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.455 ' CG2' HG13 ' A' 1539 ' ' ILE . 56.4 m -87.62 -22.84 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.455 179.508 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' 1542 ' ' ALA . . . -76.54 0.8 18.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.052 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 10.7 t -150.04 9.52 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.605 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.767 ' HB3' HG12 ' A' 1539 ' ' ILE . 36.9 ttmt -66.66 138.99 95.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.693 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.31 -49.49 14.19 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.627 2.218 . . . . 0.0 112.719 -179.814 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.87 -29.69 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.114 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.907 HD13 ' HA2' ' A' 1603 ' ' GLY . 28.7 mm -82.26 139.03 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 111.081 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.441 ' HB3' ' N ' ' A' 1605 ' ' GLU . . . -107.84 -18.26 13.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.467 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.651 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.7 p90 -158.34 160.06 36.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.478 0.656 . . . . 0.0 112.457 -179.214 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.665 ' N ' ' HB3' ' A' 1568 ' ' LYS . . . -149.27 89.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.557 179.262 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.613 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.2 OUTLIER -131.19 169.57 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.215 0.531 . . . . 0.0 112.378 -178.303 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 86.7 tttt -104.12 109.8 21.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.155 179.512 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.788 HG21 HD13 ' A' 1601 ' ' ILE . 1.9 t -94.08 176.73 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.002 -179.243 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.67 ' H ' HG13 ' A' 1545 ' ' VAL . 88.1 p -155.74 103.98 2.3 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.551 179.572 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.775 HD11 ' HB2' ' A' 1561 ' ' ALA . 50.4 mm -50.48 137.45 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.817 0.341 . . . . 0.0 111.262 -179.719 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1548 ' ' THR . . . . . 0.467 HG21 ' HA ' ' A' 1561 ' ' ALA . 4.5 t -141.61 -14.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.446 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.759 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 36.9 t -147.81 149.35 32.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 0.0 111.276 179.879 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -146.22 141.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.9 m -147.58 98.47 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.447 ' HA ' HG23 ' A' 1557 ' ' VAL . 7.0 p -96.97 140.8 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.3 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -113.15 -169.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -62.78 -23.46 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.807 HG11 ' H ' ' A' 1556 ' ' PHE . 1.3 p -138.64 -79.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.807 ' H ' HG11 ' A' 1555 ' ' VAL . 95.8 m-85 -64.17 142.99 58.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.908 179.742 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.447 HG23 ' HA ' ' A' 1552 ' ' VAL . 10.3 p -126.1 141.98 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.648 ' HG3' HG23 ' A' 1583 ' ' ILE . 11.1 mptt -114.54 150.37 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 -179.724 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.547 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 89.8 m-85 -140.07 101.43 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 179.714 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.759 ' HB2' ' HB3' ' A' 1549 ' ' SER . 95.8 mttt -90.76 139.62 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.507 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.775 ' HB2' HD11 ' A' 1547 ' ' ILE . . . -143.93 175.12 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.035 0.445 . . . . 0.0 111.53 -179.625 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 15.8 m -118.6 134.67 54.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.798 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.676 HD11 HD13 ' A' 1566 ' ' ILE . 44.5 mt -76.0 96.11 3.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' 1546 ' ' SER . 70.6 mt -57.39 -31.27 65.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.894 0.378 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.603 ' O ' ' HB2' ' A' 1543 ' ' TYR . 22.0 t70 -170.33 168.2 8.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.428 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.676 HD13 HD11 ' A' 1563 ' ' LEU . 47.5 mt -139.67 120.22 14.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.63 179.795 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -96.92 -32.58 11.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.167 0.508 . . . . 0.0 109.927 179.057 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.665 ' HB3' ' N ' ' A' 1542 ' ' ALA . 56.8 tptt -124.5 106.99 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.757 179.031 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 57.9 m -47.19 139.56 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.903 -179.079 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.774 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -91.3 127.88 9.08 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.437 179.901 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.62 -25.59 64.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.638 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -91.6 42.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.594 179.439 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 72.3 t 59.3 93.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.4 -179.803 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.774 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -126.46 125.3 41.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.363 179.435 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -131.28 159.46 37.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.321 -179.409 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.29 121.02 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.561 179.772 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.555 ' HA ' ' O ' ' A' 1563 ' ' LEU . 21.1 t70 61.07 67.6 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.542 ' H ' ' HB2' ' A' 1563 ' ' LEU . 67.8 m -114.45 179.47 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.599 179.769 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -107.76 105.07 14.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 179.77 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.686 HD13 ' HB1' ' A' 1561 ' ' ALA . 2.5 pp -109.63 154.91 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.519 -179.815 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 30.5 m -130.67 120.09 23.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.518 ' HA ' ' O ' ' A' 1619 ' ' TYR . 66.0 m-85 -113.8 109.63 18.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.718 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.648 HG23 ' HG3' ' A' 1558 ' ' LYS . 46.7 pt -102.19 164.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 -179.893 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.626 ' HB3' HD13 ' A' 1621 ' ' LEU . 52.6 pttt -166.12 -172.35 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.756 179.791 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 67.0 mttm -106.33 -175.86 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.1 p -91.48 -17.22 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.0 p -69.25 -24.97 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.253 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.568 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.6 m -59.81 105.1 0.34 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 88.8 m -94.03 -30.53 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.323 -179.648 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.45 ' CG ' ' HA ' ' A' 1513 ' ' ASP . 2.8 m-20 -86.36 11.14 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.267 -179.651 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.445 ' HA ' ' HE2' ' A' 1517 ' ' MET . . . -123.99 136.62 54.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 111.251 179.797 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -170.4 114.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.638 HD11 HD13 ' A' 1547 ' ' ILE . 70.9 mt -110.09 158.02 18.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 -179.851 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 11.0 p -144.75 144.73 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 61.5 tttp -74.82 146.85 41.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 91.56 -10.43 74.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.556 179.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -105.7 169.85 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 111.271 -179.857 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -107.89 149.08 28.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.414 ' CD2' HG12 ' A' 1547 ' ' ILE . 72.1 m-85 -143.62 148.7 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.087 0.47 . . . . 0.0 111.81 -179.436 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' 1543 ' ' TYR . 58.2 tp -113.32 118.07 33.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.96 179.063 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.788 HD13 HG21 ' A' 1545 ' ' VAL . 82.4 mt -115.34 126.77 73.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.157 0.503 . . . . 0.0 112.092 -179.051 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.522 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 74.1 mtp -140.86 109.34 5.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.993 179.489 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.907 ' HA2' HD13 ' A' 1539 ' ' ILE . . . -176.65 -168.28 36.46 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 119.946 -1.121 . . . . 0.0 113.742 -179.383 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.403 ' HE3' ' HG2' ' A' 1605 ' ' GLU . 60.2 tptt -55.5 157.09 4.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.868 0.366 . . . . 0.0 111.355 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.452 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 12.6 pt-20 -66.54 -170.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.323 -179.8 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -88.41 175.24 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.271 -179.852 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 9.5 mp -110.29 113.62 26.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.606 179.571 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.542 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 40.4 mt-30 -70.6 135.58 48.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.005 -179.626 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.643 HG13 ' HB3' ' A' 1615 ' ' PHE . 4.9 pt -145.53 -15.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.34 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.874 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 62.8 tttp -48.58 115.29 1.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.038 179.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 61.9 t80 -128.98 -60.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -119.33 44.93 2.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 63.12 9.22 3.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.3 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 48.0 t -98.34 -12.18 21.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.615 179.868 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.643 ' HB3' HG13 ' A' 1609 ' ' ILE . 85.3 m-85 -130.18 -172.76 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.49 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.874 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 58.2 ttt180 173.5 171.51 0.16 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.182 -179.079 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.659 ' H ' ' HG2' ' A' 1616 ' ' ARG . 14.1 m-85 -62.1 108.63 1.1 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.621 179.441 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 48.3 pt -128.91 135.48 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 0.0 110.974 179.556 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' 1582 ' ' PHE . 36.4 m-85 -88.5 131.16 42.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.297 -179.308 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.73 -169.99 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.687 2.258 . . . . 0.0 112.207 179.654 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' 1584 ' ' LYS . 81.6 mt -144.91 100.08 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.739 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.791 ' HB2' HD22 ' A' 1624 ' ' LEU . 10.1 m-20 -122.6 -172.02 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 20.1 m -79.76 -5.35 55.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.649 -179.421 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.791 HD22 ' HB2' ' A' 1622 ' ' ASP . 0.3 OUTLIER -88.55 -32.64 18.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.537 ' N ' ' HG ' ' A' 1624 ' ' LEU . 89.9 m -64.58 108.69 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.174 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.431 ' HB3' ' HB2' ' A' 1602 ' ' MET . 57.1 t-105 -62.56 112.17 2.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -114.26 111.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -128.93 112.86 14.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 78.0 t80 -59.62 133.3 55.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -101.53 108.21 54.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.389 179.772 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.562 ' HB2' HD11 ' A' 1643 ' ' LEU . 78.0 Cg_exo -50.41 120.18 6.0 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.666 2.244 . . . . 0.0 112.557 -179.723 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -78.66 -33.82 46.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -86.81 128.72 35.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.699 HG23 ' HG ' ' A' 1643 ' ' LEU . 82.5 p -138.05 -32.61 0.73 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 75.1 p -88.25 12.14 14.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 53.5 t -60.63 -70.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 56.3 m -155.45 -67.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 80.2 p -149.41 17.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 82.6 m -75.01 1.79 12.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.844 ' HA ' HD22 ' A' 1643 ' ' LEU . 11.3 pt20 -84.0 14.62 3.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.077 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.76 94.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -80.41 -25.6 38.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.844 HD22 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -77.1 -5.89 50.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.56 -24.73 31.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -89.44 -15.62 32.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.69 -28.47 30.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.13 -36.4 79.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.36 -43.44 94.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.766 179.823 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' 1653 ' ' ILE . 86.7 t80 -68.44 -30.57 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.968 179.89 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.37 51.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.306 -179.853 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -116.55 -4.27 11.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' 1656 ' ' ASN . 18.8 t70 -87.91 -16.18 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.035 -179.848 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.529 HD12 ' HA2' ' A' 1657 ' ' GLY . 8.6 tp -110.05 -29.2 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.777 179.794 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 44.3 t80 -78.05 -47.01 19.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -79.5 -52.75 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.787 -179.424 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.634 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -78.92 -77.78 0.16 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.277 -179.46 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.529 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.3 150.62 2.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.354 -0.832 . . . . 0.0 111.034 -179.916 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 79.8 p -95.31 162.47 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.309 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.5 m80 -127.74 178.34 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1511 ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' 1511 ' ' MET . 0.0 OUTLIER -145.87 176.76 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.937 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -150.71 -178.13 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.469 ' HB3' ' HB3' ' A' 1516 ' ' GLN . 9.5 m-20 -65.78 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 41.5 t 58.45 101.19 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 63.18 43.67 98.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.275 -179.669 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.469 ' HB3' ' HB3' ' A' 1513 ' ' ASP . 16.9 pt20 -54.93 116.26 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.941 0.4 . . . . 0.0 110.974 -179.87 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.441 ' HE3' ' HB2' ' A' 1591 ' ' ALA . 66.1 mtt -93.78 142.21 27.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -87.43 -178.57 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.66 172.44 2.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -93.5 -15.95 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 69.0 mt -148.37 102.06 3.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.557 ' OD1' HG13 ' A' 1525 ' ' ILE . 11.8 t70 -138.79 113.14 8.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.555 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 35.3 mt -103.02 17.46 24.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 76.4 p -97.36 -4.95 37.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.31 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.557 HG13 ' OD1' ' A' 1522 ' ' ASP . 89.8 mt -94.71 137.39 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.0 t -82.96 163.19 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -93.52 -4.24 51.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -106.79 -13.27 15.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 73.2 m -80.78 -50.79 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.721 HH22 HD22 ' A' 1646 ' ' LEU . 34.9 ptt180 -76.02 -22.61 55.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.905 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.494 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 84.5 tttt -60.18 -34.29 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -60.56 -23.97 65.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.272 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.786 ' HA ' ' HG2' ' A' 1536 ' ' LYS . 31.9 m -79.99 -21.03 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.467 ' CA ' ' HE1' ' A' 1602 ' ' MET . . . -80.7 4.32 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.47 -179.801 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.5 t -144.67 18.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.218 -179.639 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.786 ' HG2' ' HA ' ' A' 1533 ' ' THR . 35.0 mmtp -61.78 156.97 52.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.782 179.747 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.08 -10.5 25.84 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.424 2.083 . . . . 0.0 111.951 179.511 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.849 ' HG3' HD12 ' A' 1539 ' ' ILE . 6.6 pt-20 -108.57 -51.8 2.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.101 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.849 HD12 ' HG3' ' A' 1538 ' ' GLU . 1.9 mp -52.02 119.07 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.99 0.424 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.742 ' HB2' ' H ' ' A' 1571 ' ' GLU . . . -90.9 -58.34 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.588 ' HA ' ' O ' ' A' 1568 ' ' LYS . 5.5 p90 -101.09 144.09 30.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.519 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.53 ' HB1' ' HG2' ' A' 1602 ' ' MET . . . -153.51 104.55 2.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.767 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER -179.67 -122.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.411 178.387 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.643 ' HB2' ' HZ1' ' A' 1544 ' ' LYS . 4.4 ttmp? -131.99 140.7 49.04 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.395 0.616 . . . . 0.0 112.046 -177.686 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.815 HG13 ' HA ' ' A' 1563 ' ' LEU . 4.5 m -141.09 140.05 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 179.355 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.653 ' HB2' HD11 ' A' 1564 ' ' LEU . 31.0 t -112.57 143.84 43.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.96 0.409 . . . . 0.0 111.592 -179.014 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.701 HG13 HD13 ' A' 1593 ' ' LEU . 32.3 mm -82.06 120.68 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.549 179.572 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 76.6 p -97.24 -18.57 19.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.708 ' HA ' ' HE3' ' A' 1595 ' ' LYS . 33.4 t -161.89 167.68 24.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.819 -179.575 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.506 HG12 ' HD1' ' A' 1559 ' ' TYR . 85.3 mt -136.08 112.88 13.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.689 179.795 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 62.1 m -112.27 141.43 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.215 -179.706 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.4 p -141.36 137.55 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -106.3 -71.66 0.74 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1554 ' ' ASN . . . . . 0.433 ' OD1' HG21 ' A' 1555 ' ' VAL . 6.2 p30 -157.47 -45.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.433 HG21 ' OD1' ' A' 1554 ' ' ASN . 99.1 t -126.41 -56.42 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.72 108.76 14.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 179.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -82.1 156.0 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.922 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.781 ' HG2' HG23 ' A' 1583 ' ' ILE . 96.1 mttt -144.65 104.88 4.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.582 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 91.2 m-85 -95.67 121.04 36.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.686 ' HB3' ' HB3' ' A' 1549 ' ' SER . 17.3 tppt? -76.56 121.11 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.125 179.412 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.438 ' HB3' HG13 ' A' 1580 ' ' ILE . . . -121.57 -177.3 3.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.03 0.443 . . . . 0.0 111.775 -179.413 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1562 ' ' THR . . . . . 0.567 HG21 ' O ' ' A' 1578 ' ' SER . 21.1 m -150.36 116.51 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.641 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.815 ' HA ' HG13 ' A' 1545 ' ' VAL . 64.3 tp -64.81 92.09 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.754 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.653 HD11 ' HB2' ' A' 1546 ' ' SER . 85.7 mt -56.24 -55.15 36.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.026 0.441 . . . . 0.0 110.854 -179.037 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.767 ' O ' ' HB3' ' A' 1543 ' ' TYR . 9.6 m-20 -144.14 163.51 33.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.708 179.623 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.737 HG22 HD11 ' A' 1563 ' ' LEU . 0.3 OUTLIER -141.79 106.91 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -179.327 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.646 ' H ' ' HB2' ' A' 1543 ' ' TYR . 57.0 m-85 -63.05 -33.44 75.44 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.358 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' A' 1541 ' ' TYR . 62.6 tttp -133.92 112.43 11.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.101 -1.409 . . . . 0.0 108.778 178.588 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1569 ' ' THR . . . . . 0.406 HG21 ' O ' ' A' 1574 ' ' ALA . 91.6 m -51.07 145.34 7.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.117 -178.913 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.448 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -82.28 129.87 9.33 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.047 179.433 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.742 ' H ' ' HB2' ' A' 1540 ' ' ALA . 39.0 mt-10 -67.02 -12.87 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 111.169 -179.711 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.711 ' HB1' ' HB2' ' A' 1605 ' ' GLU . . . -112.55 71.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 179.678 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 99.3 t 49.78 89.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.544 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.456 ' HB3' HD22 ' A' 1563 ' ' LEU . . . -150.16 127.51 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.916 179.527 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -140.62 164.46 30.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.807 -179.928 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.733 ' HB2' ' HZ2' ' A' 1576 ' ' LYS . 4.4 ttmp? -60.02 109.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.635 179.943 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1577 ' ' ASP . . . . . . . . . . . . . 19.9 t70 68.15 71.11 0.32 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.663 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.567 ' O ' HG21 ' A' 1562 ' ' THR . 39.2 p -126.83 -167.46 1.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.8 131.02 52.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.69 HD11 ' HE1' ' A' 1582 ' ' PHE . 15.3 pt -143.31 165.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.048 -179.796 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 28.9 m -137.28 129.4 29.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.543 -179.77 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.69 ' HE1' HD11 ' A' 1580 ' ' ILE . 49.5 m-85 -115.42 103.33 10.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.61 179.493 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.781 HG23 ' HG2' ' A' 1558 ' ' LYS . 47.7 pt -88.59 146.43 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.302 -179.718 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.582 ' HE2' ' HE2' ' A' 1559 ' ' TYR . 39.4 ttpt -130.79 149.64 52.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.822 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.46 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 96.0 mttt -87.06 171.02 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.683 179.729 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.7 p -77.4 -25.83 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -179.855 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.7 p -67.48 -33.94 76.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.336 -179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 0.0 OUTLIER -65.99 94.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.879 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 8.1 t -100.65 -12.86 18.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -85.53 -13.79 47.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.441 ' HB2' ' HE3' ' A' 1517 ' ' MET . . . -84.28 108.44 17.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.177 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -134.97 120.57 19.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.805 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.701 HD13 HG13 ' A' 1547 ' ' ILE . 2.1 pt? -135.96 178.77 6.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.973 -179.843 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.577 ' H ' ' HH ' ' A' 1599 ' ' TYR . 46.7 t -129.87 146.43 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.708 ' HE3' ' HA ' ' A' 1549 ' ' SER . 87.2 tttt -74.69 115.4 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 119.05 -33.59 4.67 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.692 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.414 ' HD3' ' HB ' ' A' 1594 ' ' VAL . 10.7 mpt_? -67.4 164.95 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.013 0.435 . . . . 0.0 111.267 -179.871 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.611 HE21 ' HD3' ' A' 1544 ' ' LYS . 28.2 mt-30 -110.55 136.48 49.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.627 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.577 ' HH ' ' H ' ' A' 1594 ' ' VAL . 94.4 m-85 -132.81 136.61 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.354 -179.677 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.457 HD11 ' CE3' ' A' 1630 ' ' TRP . 10.4 tp -75.68 123.05 24.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.88 179.159 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.697 HD11 HG21 ' A' 1545 ' ' VAL . 1.7 mp -118.45 137.47 52.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.156 0.503 . . . . 0.0 111.904 -179.055 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.749 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 67.4 mtp -149.21 100.95 3.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.17 179.626 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.6 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -156.75 174.76 34.43 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.323 -179.448 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.677 ' HD2' HD12 ' A' 1624 ' ' LEU . 0.0 OUTLIER -66.93 174.3 3.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.893 0.378 . . . . 0.0 111.188 -179.892 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.711 ' HB2' ' HB1' ' A' 1572 ' ' ALA . 0.0 OUTLIER -70.2 165.52 21.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.166 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' 1619 ' ' TYR . . . -67.57 -173.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.355 -179.871 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.8 mt -106.95 -174.94 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -139.91 88.62 2.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.213 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 11.2 tp -90.41 -10.16 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.401 -179.342 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.929 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 87.5 tttt 66.26 131.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.181 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 81.4 t80 -135.51 -29.27 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 6.9 t30 -144.35 -63.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -162.35 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.9 p -96.37 12.08 32.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.929 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 91.4 m-85 63.65 162.58 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1616 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.31 102.1 13.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.5 179.868 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.606 ' HE1' ' HB2' ' A' 1615 ' ' PHE . 2.6 m-30 -86.67 112.56 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.221 -179.657 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.735 HD13 HD12 ' A' 1583 ' ' ILE . 20.5 pt -141.47 131.39 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.423 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' 1582 ' ' PHE . 3.1 m-30 -77.54 118.62 73.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.783 -179.5 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.43 -174.55 2.31 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.621 2.214 . . . . 0.0 112.565 -179.804 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' 1584 ' ' LYS . 87.4 mt -142.53 102.52 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.796 179.776 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -127.46 -176.02 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.1 p -71.2 -11.17 60.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.677 HD12 ' HD2' ' A' 1604 ' ' LYS . 0.7 OUTLIER -87.24 -30.67 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.575 179.903 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.485 ' O ' HG13 ' A' 1627 ' ' ILE . 61.8 m -63.99 99.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.081 -179.83 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.749 ' HB3' ' HB2' ' A' 1602 ' ' MET . 59.2 t-105 -60.11 109.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.723 179.773 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' 1625 ' ' THR . 71.8 mt -119.21 133.12 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -144.91 155.88 43.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.514 179.926 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 34.8 t80 -97.72 117.45 32.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.493 ' CE2' HD11 ' A' 1646 ' ' LEU . 7.2 t-105 -91.41 115.11 63.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.339 179.661 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.91 100.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.446 2.097 . . . . 0.0 112.364 -179.866 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -56.64 -27.83 59.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1633 ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' A' 1636 ' ' CYS . 10.8 m-20 -94.33 133.77 37.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.819 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.472 ' HA ' HD12 ' A' 1643 ' ' LEU . 72.3 p -122.21 4.52 9.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.002 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 10.0 t -146.67 13.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.451 ' HB2' ' HB3' ' A' 1633 ' ' ASP . 52.6 t -57.63 -67.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.069 -179.911 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 46.8 t -155.34 -68.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 80.3 p -137.38 8.94 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.052 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 83.6 m -63.74 -24.95 67.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.715 ' HG3' HD11 ' A' 1643 ' ' LEU . 51.7 tt0 -60.93 -18.35 56.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.277 179.895 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.35 -33.12 67.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.278 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 61.5 t80 -80.17 -25.19 39.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.834 ' HA ' HD12 ' A' 1646 ' ' LEU . 62.6 mt -62.83 -24.35 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 -179.872 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -57.71 -58.16 9.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.597 -179.629 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 31.4 p30 -64.47 -12.31 42.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.073 -179.814 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' 1643 ' ' LEU . 94.4 mt -83.42 -38.66 21.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.814 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -72.19 -26.96 62.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.736 179.766 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.45 6.18 9.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.674 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.494 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 58.8 t80 -123.26 -26.4 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.64 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1650 ' ' ALA . . . . . 0.407 ' HA ' ' OH ' ' A' 1567 ' ' TYR . . . -67.05 -72.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.382 -179.916 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -69.87 -9.58 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 -179.6 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' 1656 ' ' ASN . 29.8 t70 -69.95 -65.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.821 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' 1649 ' ' PHE . 18.7 tt -70.57 -22.33 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.794 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 55.8 t80 -70.77 -50.98 30.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' 1655 ' ' LEU . 6.2 tt -79.25 -53.65 6.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.73 -179.638 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.62 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -74.3 -71.46 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.064 -179.74 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 106.18 -170.59 16.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.583 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.144 179.96 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 54.4 m -144.46 -36.79 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 47.7 t60 -96.54 113.62 25.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 57.7 ttp -99.21 145.24 27.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 179.927 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -107.17 124.65 50.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.62 -9.54 59.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.267 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' 1516 ' ' GLN . 1.3 m 56.01 -156.45 0.27 Allowed 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.122 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.456 ' O ' HD11 ' A' 1627 ' ' ILE . . . -61.12 80.09 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.763 178.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' 1514 ' ' CYS . 0.5 OUTLIER -48.09 127.77 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 110.938 -179.594 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.536 ' HE2' ' H ' ' A' 1592 ' ' GLU . 15.2 ptp -95.78 154.85 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.976 -179.887 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -97.97 177.94 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.13 -176.59 0.3 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.91 -173.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1521 ' ' LEU . . . . . 0.646 HD13 ' HG3' ' A' 1631 ' ' PRO . 2.5 pt? -58.14 132.47 53.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1522 ' ' ASP . . . . . 0.461 ' OD1' HG21 ' A' 1524 ' ' THR . 52.4 t0 -152.7 133.15 13.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.526 HD11 ' N ' ' A' 1523 ' ' LEU . 4.5 mp -82.16 22.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.315 -179.603 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1524 ' ' THR . . . . . 0.461 HG21 ' OD1' ' A' 1522 ' ' ASP . 75.8 p -95.18 -20.6 19.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 111.316 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.7 mt -80.5 136.63 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 37.7 t -87.23 175.09 8.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.13 39.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.231 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.466 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.5 mt-10 -75.67 -18.26 59.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 26.4 m -62.91 -18.17 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.545 ' NH2' ' HG2' ' A' 1628 ' ' GLU . 59.9 mtt180 -122.5 -24.7 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.994 -179.851 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.671 ' HE2' HD11 ' A' 1653 ' ' ILE . 2.5 tppp? -74.47 -36.63 63.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.332 -179.766 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -74.31 7.32 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.723 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 24.0 m -135.84 -21.47 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.034 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -77.51 -12.27 59.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.9 t -100.45 -29.25 12.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.723 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.5 mtmt -63.36 146.57 96.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1537 ' ' PRO . . . . . 0.46 ' O ' ' HE2' ' A' 1604 ' ' LYS . 37.1 Cg_exo -60.24 -11.97 18.13 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.65 2.234 . . . . 0.0 112.353 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.91 -8.17 34.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.013 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.504 ' CG2' ' HB3' ' A' 1602 ' ' MET . 46.0 mm -128.87 118.8 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 111.987 -179.311 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.531 ' HB2' ' N ' ' A' 1605 ' ' GLU . . . -74.65 -73.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.366 178.837 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.663 ' HB2' HD13 ' A' 1566 ' ' ILE . 48.2 p90 -108.09 132.94 53.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.042 179.637 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -139.72 116.41 10.82 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.489 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.697 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER 176.29 -124.41 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.229 178.29 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' 1543 ' ' TYR . 36.9 ttpt -126.77 132.4 51.07 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 111.991 -177.411 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.686 HG13 ' HA ' ' A' 1563 ' ' LEU . 6.1 m -137.08 147.34 27.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.079 179.521 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 18.5 t -117.62 156.58 27.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 111.41 -179.207 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 37.8 mm -96.82 139.3 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.412 179.547 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 2.4 t -138.56 -10.33 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.679 -179.583 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.886 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 63.4 m -157.17 132.25 8.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 111.261 179.911 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.422 ' H ' ' HZ2' ' A' 1595 ' ' LYS . 81.4 mt -131.29 109.96 17.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.621 179.731 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 77.5 m -125.12 143.35 50.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.4 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.549 HG23 HG23 ' A' 1557 ' ' VAL . 7.3 p -133.5 137.63 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.76 179.756 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -95.86 -80.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.01 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 15.0 m120 -131.49 -72.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.981 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 83.9 t -104.93 -45.22 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -83.27 120.85 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.549 HG23 HG23 ' A' 1552 ' ' VAL . 24.1 t -99.7 126.77 53.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.652 ' HG3' HG21 ' A' 1583 ' ' ILE . 0.8 OUTLIER -99.62 153.18 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.164 -179.801 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -139.35 106.69 5.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.886 ' HB2' ' HB2' ' A' 1549 ' ' SER . 3.5 mmmp? -84.12 99.96 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.705 179.767 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -116.35 165.0 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1562 ' ' THR . . . . . 0.461 ' O ' HD22 ' A' 1564 ' ' LEU . 2.4 m -121.38 120.9 36.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.939 179.808 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.792 HD21 ' HB ' ' A' 1566 ' ' ILE . 21.0 tp -69.31 100.55 1.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.207 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' 1562 ' ' THR . 4.3 mm? -59.73 -57.49 12.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.038 0.447 . . . . 0.0 110.803 -179.257 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.697 ' O ' ' HB3' ' A' 1543 ' ' TYR . 8.9 m-20 -136.04 155.95 49.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.12 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.792 ' HB ' HD21 ' A' 1563 ' ' LEU . 9.4 tp -133.5 119.8 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.749 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.63 ' H ' ' HB2' ' A' 1543 ' ' TYR . 22.3 m-85 -81.21 -67.3 0.79 Allowed 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.791 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' 1541 ' ' TYR . 6.9 tmtm? -96.41 106.31 18.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.759 178.238 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1569 ' ' THR . . . . . 0.513 HG22 ' O ' ' A' 1574 ' ' ALA . 36.1 m -48.84 137.2 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.851 -179.025 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.683 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -81.88 120.65 5.2 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.106 179.585 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.17 -22.9 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.4 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -95.01 45.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.406 179.37 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 71.5 t 62.21 94.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.204 -179.599 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.683 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -149.44 122.87 9.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.846 179.75 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.459 ' O ' HD22 ' A' 1563 ' ' LEU . 14.0 mm-40 -147.19 149.27 32.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -42.26 127.27 3.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.996 179.63 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' 1563 ' ' LEU . 16.8 t70 61.09 74.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.59 -179.64 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 28.7 t -137.39 -168.09 2.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.651 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -112.2 128.74 56.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.486 HD12 ' HZ ' ' A' 1582 ' ' PHE . 9.8 pt -141.65 146.45 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.367 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 87.2 m -133.51 140.03 46.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.543 ' HB3' HD21 ' A' 1621 ' ' LEU . 4.4 m-85 -122.93 146.11 47.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.652 HG21 ' HG3' ' A' 1558 ' ' LYS . 46.9 pt -127.82 148.92 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.177 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.754 ' HB3' HD12 ' A' 1621 ' ' LEU . 54.3 pttt -147.42 -167.23 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.6 mptp? -112.63 -176.05 2.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.777 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 26.6 m -90.7 -1.61 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.028 179.762 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.6 p -95.0 -32.48 13.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' 1514 ' ' CYS . 71.2 m -70.25 83.44 0.54 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 77.4 p -92.83 -12.21 31.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' 1517 ' ' MET . 32.8 m-80 -76.19 -24.71 54.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.739 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -105.5 88.79 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1592 ' ' GLU . . . . . 0.536 ' H ' ' HE2' ' A' 1517 ' ' MET . 45.8 mt-10 -127.86 104.48 7.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.756 179.865 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.508 HD11 ' N ' ' A' 1593 ' ' LEU . 4.5 mp -81.47 161.64 23.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.8 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 70.9 t -109.84 142.55 22.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.046 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.422 ' HZ2' ' H ' ' A' 1550 ' ' ILE . 24.8 ttmm -70.99 136.27 48.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.85 65.17 3.18 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.735 179.781 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.586 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 21.8 ttm180 -169.27 139.69 2.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -78.55 138.68 38.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.288 -179.671 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.517 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 63.3 m-85 -144.75 131.51 20.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.412 -179.754 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 0.3 OUTLIER -68.9 123.74 21.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.632 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' 1626 ' ' TRP . 29.3 mt -139.05 141.88 35.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.829 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.504 ' HB3' ' CG2' ' A' 1539 ' ' ILE . 22.3 mtm -130.34 89.95 2.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.089 178.413 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.483 ' HA3' ' CZ ' ' A' 1541 ' ' TYR . . . -92.87 153.87 21.73 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.439 -178.485 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' 1605 ' ' GLU . 29.1 tptp -91.31 162.63 14.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 110.642 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.531 ' N ' ' HB2' ' A' 1540 ' ' ALA . 41.0 tt0 -52.09 132.4 32.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' 1618 ' ' ILE . . . -91.86 -170.24 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.288 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.471 HD21 ' N ' ' A' 1607 ' ' LEU . 3.4 mm? -89.83 -166.36 1.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -162.49 101.39 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.198 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 1.1 mt -89.23 -36.49 8.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.52 -179.092 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.753 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 61.1 tttm 52.39 91.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.247 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1611 ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' 1614 ' ' SER . 96.8 m-85 -90.75 176.67 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 44.8 t30 -70.82 -41.04 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -77.12 -42.96 35.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1614 ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' 1611 ' ' TYR . 47.6 t -167.87 140.48 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.753 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 36.2 p90 -68.18 153.83 42.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.646 ' HG2' HG12 ' A' 1618 ' ' ILE . 29.7 ttm180 -134.07 146.73 50.6 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.052 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -120.61 -60.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.646 HG12 ' HG2' ' A' 1616 ' ' ARG . 46.8 mm 62.97 108.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.332 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -85.9 137.69 35.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.15 -176.15 3.09 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.575 2.183 . . . . 0.0 112.239 179.871 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.754 HD12 ' HB3' ' A' 1584 ' ' LYS . 86.1 mt -143.09 48.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -60.69 177.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1623 ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' 1514 ' ' CYS . 56.6 p -78.32 8.8 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 -179.784 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.5 pp -106.07 5.43 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 179.703 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 91.6 m -86.94 114.34 23.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' 1601 ' ' ILE . 53.5 t-105 -71.75 130.41 41.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.456 HD11 ' O ' ' A' 1515 ' ' GLY . 70.5 mt -136.16 137.22 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 9.0 tp10 -150.6 155.22 38.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.675 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.586 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 18.0 t80 -91.04 120.04 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -101.27 117.35 62.33 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.251 179.496 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.646 ' HG3' HD13 ' A' 1521 ' ' LEU . 72.5 Cg_exo -50.73 102.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.585 2.19 . . . . 0.0 112.434 -179.832 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -60.77 -25.72 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -108.95 144.49 36.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.539 HG23 ' HG ' ' A' 1643 ' ' LEU . 81.3 p -140.91 -8.75 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.875 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 77.6 p -62.68 -39.42 93.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1636 ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' 1639 ' ' CYS . 52.7 t -73.99 146.44 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 48.2 t -64.49 -36.24 83.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.2 t -79.37 -18.86 51.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.415 ' HB2' ' HB3' ' A' 1636 ' ' CYS . 82.1 m -97.69 17.66 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.792 ' HA ' HD23 ' A' 1643 ' ' LEU . 35.8 tt0 -135.87 74.31 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -135.96 -59.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.815 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.531 ' CB ' ' HB2' ' A' 1521 ' ' LEU . 55.2 t80 -65.36 -21.15 66.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.776 179.721 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.792 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.4 mm? -64.09 -16.63 62.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.03 5.45 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 179.616 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1645 ' ' ASN . . . . . 0.478 HD22 ' HG ' ' A' 1523 ' ' LEU . 40.9 m-80 -105.29 -6.98 19.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.719 179.683 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' 1646 ' ' LEU . 2.9 mm? -101.69 -22.93 14.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.3 -34.52 78.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.792 -179.836 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.6 -31.74 41.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.689 179.863 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.449 ' O ' HG22 ' A' 1653 ' ' ILE . 84.6 t80 -81.79 -7.91 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.684 179.858 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -87.78 -65.6 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.637 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.87 -6.1 11.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.693 -179.063 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.57 -75.01 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.697 0.284 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.671 HD11 ' HE2' ' A' 1531 ' ' LYS . 4.3 tp -53.52 -31.7 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.992 179.851 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 68.3 t80 -70.81 -53.37 15.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.193 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 37.0 tp -87.91 -69.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 -179.422 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.62 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -60.01 -74.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.262 -179.586 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 95.66 160.16 33.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.304 -179.714 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.038 -179.861 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.2 p -147.4 -6.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 16.3 p80 -91.34 13.17 18.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 86.3 mtp -61.46 123.43 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -144.48 145.1 31.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1513 ' ' ASP . . . . . 0.404 ' HA ' ' ND2' ' A' 1590 ' ' ASN . 6.7 m-20 -86.59 31.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.055 -179.889 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 40.5 t -49.36 128.72 17.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.575 179.644 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 83.6 -46.38 3.64 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.895 -179.125 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.6 tt0 53.18 95.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 111.372 179.652 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 24.4 ptm -103.46 149.59 24.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.802 179.839 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.28 176.07 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.04 -179.842 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.4 -175.29 0.79 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -97.85 -85.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 73.0 mt -102.36 102.28 12.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.102 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -147.93 113.5 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.772 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 52.5 mt -81.38 8.29 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.005 -179.689 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 68.7 p -74.06 -21.42 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.7 mt -95.63 129.44 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.1 m -92.29 -172.64 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -74.73 -58.39 3.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.253 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.818 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.5 mt-10 -65.64 -15.66 62.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.337 -179.88 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 93.0 m -56.27 -42.18 77.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' 1530 ' ' ARG . 14.6 ptt180 -115.62 0.34 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.818 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 19.8 tptm -77.85 -30.57 51.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 -179.833 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' 1528 ' ' GLU . 9.2 mm100 -63.81 -10.07 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.946 0.403 . . . . 0.0 110.438 179.675 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.738 ' HA ' ' HG3' ' A' 1536 ' ' LYS . 28.0 m -95.59 -18.75 20.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.891 179.772 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.421 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -77.13 3.31 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.655 -179.773 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1535 ' ' CYS . . . . . 0.442 ' HA ' ' HZ1' ' A' 1568 ' ' LYS . 18.1 t -141.38 16.19 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.276 -179.864 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.738 ' HG3' ' HA ' ' A' 1533 ' ' THR . 97.7 mttt -69.45 154.62 94.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.783 179.769 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.31 -20.16 55.51 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.494 2.129 . . . . 0.0 112.291 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.869 ' HG3' HD11 ' A' 1539 ' ' ILE . 5.6 pt-20 -90.67 -44.9 9.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.87 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -62.74 111.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.677 179.615 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.88 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.354 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.491 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.9 p90 -117.39 160.08 21.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.19 0.519 . . . . 0.0 111.813 -179.329 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' A' 1568 ' ' LYS . . . -149.23 100.15 3.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.989 179.477 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.631 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.0 OUTLIER -151.78 178.46 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 0.0 111.724 -179.095 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.515 ' HE2' ' HB2' ' A' 1565 ' ' ASP . 65.1 pttt -115.54 138.88 50.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.568 179.743 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.843 HG12 ' HA ' ' A' 1563 ' ' LEU . 10.1 m -136.45 -178.29 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.399 -179.539 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.428 ' CB ' HD11 ' A' 1564 ' ' LEU . 10.5 t -148.43 130.32 15.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 179.76 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.549 HD12 ' HB3' ' A' 1561 ' ' ALA . 49.0 mm -66.25 139.49 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.834 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 56.1 p -129.95 -26.32 2.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.552 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.76 ' HA ' ' HE2' ' A' 1595 ' ' LYS . 72.4 m -151.72 155.35 38.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.331 -179.568 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.5 mt -132.92 120.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.3 m -109.98 140.64 43.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 -179.891 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.3 p -141.58 140.59 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -118.66 -77.04 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.201 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -120.23 -75.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.031 -179.661 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' 1556 ' ' PHE . 5.7 m -111.35 -49.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.261 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1556 ' ' PHE . . . . . 0.414 ' N ' HG22 ' A' 1555 ' ' VAL . 96.3 m-85 -73.89 128.04 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.758 179.88 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 5.2 p -107.85 117.1 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.281 -179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.829 ' HG3' HG23 ' A' 1583 ' ' ILE . 4.0 mptp? -84.7 152.32 23.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.638 179.823 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' 1581 ' ' THR . 87.0 m-85 -131.81 113.03 13.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.24 -179.889 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -92.83 109.33 20.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.692 179.586 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.549 ' HB3' HD12 ' A' 1547 ' ' ILE . . . -125.52 175.81 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.295 -179.851 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 5.0 m -120.35 134.86 55.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.019 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.843 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.0 tp -77.23 102.34 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.396 179.464 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.5 HD12 ' C ' ' A' 1545 ' ' VAL . 10.2 mp -57.12 -58.12 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.341 -179.022 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' 1543 ' ' TYR . 7.1 m-20 -152.42 158.48 42.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.54 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.744 HG12 HD21 ' A' 1563 ' ' LEU . 54.5 mt -109.14 134.25 51.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.019 0.438 . . . . 0.0 111.799 -179.746 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.584 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 61.0 m-85 -113.37 -14.07 12.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.224 178.521 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.595 ' HB3' ' HB2' ' A' 1542 ' ' ALA . 86.9 tttt -159.76 114.6 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.864 179.161 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 42.9 m -46.29 150.29 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 0.0 111.832 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.681 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -107.94 135.75 13.01 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.351 -179.837 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -63.02 -25.9 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.623 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1572 ' ' ALA . . . . . 0.465 ' HB1' ' H ' ' A' 1606 ' ' ALA . . . -89.7 42.53 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.337 179.436 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 84.5 t 56.56 89.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.322 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.681 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -106.85 131.94 53.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.414 179.359 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.621 ' HB3' ' HB3' ' A' 1578 ' ' SER . 35.4 tt0 -135.82 144.48 45.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.475 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -59.18 123.9 18.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.629 ' HA ' ' O ' ' A' 1563 ' ' LEU . 18.6 t70 64.95 34.17 9.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.093 0.473 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.621 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 66.9 p -84.07 -167.85 1.92 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.667 179.408 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -109.46 144.2 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.682 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.581 HD11 ' HE1' ' A' 1582 ' ' PHE . 31.2 pt -138.32 150.05 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.317 -179.876 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1581 ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' 1559 ' ' TYR . 18.3 m -140.11 97.83 3.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.967 179.763 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.581 ' HE1' HD11 ' A' 1580 ' ' ILE . 60.7 m-85 -92.87 124.91 37.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.886 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.829 HG23 ' HG3' ' A' 1558 ' ' LYS . 42.2 pt -102.01 136.84 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.43 . . . . 0.0 111.062 179.913 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.672 ' HB2' HD22 ' A' 1621 ' ' LEU . 36.7 ttpt -125.54 155.29 40.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.847 -179.718 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.523 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 66.8 mttm -82.48 -178.04 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.613 179.666 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.5 p -95.67 -15.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.2 p -86.71 -23.41 25.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.314 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 30.1 m -59.22 108.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.016 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 63.7 m -99.67 -41.53 7.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1590 ' ' ASN . . . . . 0.404 ' ND2' ' HA ' ' A' 1513 ' ' ASP . 2.7 m-20 -66.18 -18.53 65.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -91.38 106.98 18.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -129.44 124.42 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.4 mt -122.66 151.53 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.486 HG13 ' HB2' ' A' 1597 ' ' ARG . 9.2 p -136.64 143.85 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.76 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.1 ttmt -76.01 126.16 30.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 115.81 -38.54 3.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.716 179.749 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.486 ' HB2' HG13 ' A' 1594 ' ' VAL . 0.0 OUTLIER -79.03 170.41 16.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.937 0.398 . . . . 0.0 111.298 -179.763 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A 1598 ' ' GLN . . . . . 0.661 ' HB2' ' HB3' ' A' 1630 ' ' TRP . 26.3 mt-30 -113.92 149.93 34.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.693 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.421 ' OH ' HG11 ' A' 1594 ' ' VAL . 98.0 m-85 -143.74 135.77 26.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 111.395 -179.892 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.68 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 51.0 tp -84.48 128.71 34.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.275 179.369 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.475 HG23 ' HE1' ' A' 1541 ' ' TYR . 41.6 mm -116.18 124.41 72.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.942 0.401 . . . . 0.0 111.64 -179.382 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1602 ' ' MET . . . . . . . . . . . . . 73.4 mtp -144.68 115.42 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.321 179.758 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.87 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 173.02 -164.65 36.7 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.541 -179.865 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' 1605 ' ' GLU . 3.9 tppp? -54.03 163.78 0.72 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.919 0.39 . . . . 0.0 111.274 -179.549 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' 1604 ' ' LYS . 12.1 pt-20 -71.43 -170.4 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1606 ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -102.96 175.64 5.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.351 -179.872 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' 1607 ' ' LEU . 6.8 mp -93.26 -165.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.639 179.774 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' A' 1617 ' ' TYR . 8.6 tt0 -169.84 97.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.262 179.885 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.582 ' HB ' ' HB3' ' A' 1615 ' ' PHE . 5.9 mm -108.37 -22.42 5.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.446 -179.498 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.601 ' HG2' ' HB2' ' A' 1614 ' ' SER . 38.2 tptt 179.73 -141.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.266 179.895 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1611 ' ' TYR . . . . . 0.492 ' H ' ' HG3' ' A' 1610 ' ' LYS . 15.5 p90 -168.67 105.91 0.44 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 57.9 t30 63.69 153.25 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.318 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 63.57 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.527 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1614 ' ' SER . . . . . 0.601 ' HB2' ' HG2' ' A' 1610 ' ' LYS . 53.6 m -71.01 -83.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.061 -179.727 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.582 ' HB3' ' HB ' ' A' 1609 ' ' ILE . 97.4 m-85 -134.0 -158.52 0.89 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.663 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.612 ' HG2' ' H ' ' A' 1617 ' ' TYR . 67.3 ttt180 177.88 176.11 0.45 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.754 0.312 . . . . 0.0 110.658 -179.409 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.612 ' H ' ' HG2' ' A' 1616 ' ' ARG . 40.0 m-85 -57.2 -50.93 71.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.085 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.428 ' O ' HG13 ' A' 1618 ' ' ILE . 23.8 pt 36.89 99.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.291 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.501 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 47.7 m-85 -55.16 138.85 65.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.047 -179.81 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1620 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' 1606 ' ' ALA . 62.1 Cg_endo -72.68 -172.64 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.519 2.146 . . . . 0.0 112.019 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' 1584 ' ' LYS . 31.7 tp -166.15 97.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1622 ' ' ASP . . . . . 0.596 ' HB2' HD12 ' A' 1624 ' ' LEU . 9.9 m-20 -135.22 -167.78 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 -179.901 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 75.9 p -67.53 -32.87 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.723 -179.383 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -71.3 -7.5 47.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 111.048 -179.574 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A 1625 ' ' THR . . . . . 0.586 ' N ' HD11 ' A' 1624 ' ' LEU . 62.7 m -87.28 104.2 16.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.991 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -65.4 111.1 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.669 HD11 HD12 ' A' 1621 ' ' LEU . 67.9 mt -114.75 129.1 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.696 179.747 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1628 ' ' GLU . . . . . 0.68 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.3 tt0 -131.52 157.3 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.111 -179.831 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -97.53 128.29 44.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.661 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 3.3 t-105 -105.08 103.74 43.33 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.87 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.527 ' HB2' HD12 ' A' 1643 ' ' LEU . 51.8 Cg_exo -54.51 108.11 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.592 2.195 . . . . 0.0 112.323 -179.84 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -75.42 -25.45 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.765 179.827 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.23 128.75 36.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.774 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.427 HG23 ' HG ' ' A' 1643 ' ' LEU . 77.8 p -133.66 -57.78 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 10.2 t -91.35 10.51 27.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 85.1 m -76.22 -33.58 59.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 51.9 m -137.27 -78.63 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.9 p -173.27 8.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 17.7 p -82.49 98.88 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.437 ' HA ' HD22 ' A' 1643 ' ' LEU . 48.7 mt-30 -141.84 -5.81 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.43 75.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 69.3 t80 -78.26 -42.14 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.527 HD12 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -65.35 -13.94 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -78.43 -32.06 48.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.855 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -70.35 -28.57 65.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.755 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.42 ' N ' HD13 ' A' 1646 ' ' LEU . 8.9 mp -79.06 -17.93 54.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.77 -46.67 81.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 179.853 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.73 -40.82 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.67 179.768 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.463 ' O ' HG22 ' A' 1653 ' ' ILE . 89.4 t80 -61.03 -24.27 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.062 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -76.16 -55.31 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.567 -179.687 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -75.04 -4.88 41.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.408 -179.15 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.654 ' HA ' HD21 ' A' 1656 ' ' ASN . 14.0 t70 -85.72 -62.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.717 HD12 ' HE3' ' A' 1531 ' ' LYS . 6.8 tp -60.86 -25.44 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.975 0.416 . . . . 0.0 110.909 179.775 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 66.5 t80 -78.14 -49.77 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.218 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.4 tt -90.35 -69.29 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 -179.415 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.654 HD21 ' HA ' ' A' 1652 ' ' ASP . 24.9 m-80 -58.1 -18.58 25.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.555 -179.58 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.498 ' O ' ' HA ' ' A' 1653 ' ' ILE . . . 71.77 -123.22 9.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.31 -179.811 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.935 179.807 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 55.9 m -86.83 -66.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.786 0.327 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -157.12 -3.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.4 ptm -167.45 139.49 3.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -150.51 122.46 8.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 179.913 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.56 -81.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 42.2 t 50.57 35.14 10.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.376 0.607 . . . . 0.0 110.706 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.735 ' HA3' ' HB1' ' A' 1591 ' ' ALA . . . 160.52 -48.09 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.103 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1516 ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' 1515 ' ' GLY . 25.9 mt-30 74.32 -48.28 0.65 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.856 0.463 . . . . 0.0 111.863 179.565 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.494 ' HG2' ' HA ' ' A' 1591 ' ' ALA . 24.9 mmt 54.21 -172.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 111.08 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -143.46 148.53 36.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.785 179.851 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.69 170.07 11.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.45 120.99 21.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 70.3 mt 57.12 94.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.069 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -121.2 99.88 6.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.82 89.93 8.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.392 -179.425 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 7.7 t -179.86 -13.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.772 179.64 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1525 ' ' ILE . . . . . 0.493 HG22 HG23 ' A' 1529 ' ' THR . 80.6 mt -95.75 137.7 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 79.6 p -84.84 -177.45 6.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1527 ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' 1531 ' ' LYS . . . -101.06 -13.15 18.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -93.81 -6.15 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1529 ' ' THR . . . . . 0.493 HG23 HG22 ' A' 1525 ' ' ILE . 10.1 t -70.98 -31.36 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.436 ' O ' ' HE2' ' A' 1602 ' ' MET . 15.4 ptt-85 -110.88 -22.21 11.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.135 -179.564 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.597 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 13.1 tmtt? -59.56 -50.53 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' 1536 ' ' LYS . 11.6 pt20 -64.83 -16.28 62.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.189 179.442 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.457 HG22 ' NZ ' ' A' 1536 ' ' LYS . 90.7 m -83.26 -26.92 30.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.71 179.578 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1534 ' ' ALA . . . . . 0.448 ' HB3' ' SD ' ' A' 1602 ' ' MET . . . -67.47 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.042 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1535 ' ' CYS . . . . . 0.633 ' HA ' ' HZ3' ' A' 1568 ' ' LYS . 47.7 t -65.5 -10.1 31.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.783 ' HE3' ' HB3' ' A' 1538 ' ' GLU . 38.6 ttpt -59.66 137.32 89.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.831 179.833 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.41 -14.4 12.5 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.674 2.249 . . . . 0.0 112.798 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.783 ' HB3' ' HE3' ' A' 1536 ' ' LYS . 42.2 tt0 -79.95 -31.01 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.716 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.86 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -104.78 112.14 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.665 179.775 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.599 ' HB2' ' HG3' ' A' 1571 ' ' GLU . . . -67.25 -70.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.551 -179.743 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.483 ' HE1' HG21 ' A' 1601 ' ' ILE . 4.5 p90 -96.21 155.91 16.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.397 0.618 . . . . 0.0 111.898 -179.13 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.05 96.59 2.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.506 179.202 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.648 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.5 OUTLIER -150.91 176.45 11.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.532 . . . . 0.0 112.042 -178.795 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.462 ' HG2' HD11 ' A' 1564 ' ' LEU . 84.0 tttt -111.71 136.61 50.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.322 179.504 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.814 HG11 ' HA ' ' A' 1563 ' ' LEU . 17.7 m -129.65 -175.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.373 . . . . 0.0 111.351 -179.692 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.466 ' HB2' HD12 ' A' 1564 ' ' LEU . 23.1 t -151.0 122.01 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.825 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1547 ' ' ILE . . . . . 0.632 HD13 HD12 ' A' 1593 ' ' LEU . 43.1 mm -58.09 136.72 21.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1548 ' ' THR . . . . . 0.464 ' O ' ' HE2' ' A' 1595 ' ' LYS . 46.3 p -132.21 -18.3 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.345 -179.679 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 65.3 m -153.11 138.18 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.896 0.379 . . . . 0.0 111.37 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.3 mt -131.31 111.41 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 57.2 m -107.36 137.46 45.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 11.8 p -129.07 141.1 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -120.36 -166.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -53.62 -58.43 7.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.495 ' O ' ' HB ' ' A' 1586 ' ' VAL . 32.4 t -118.24 -56.37 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -65.82 163.74 16.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 7.3 p -156.05 140.07 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 179.822 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.682 ' HG2' HG23 ' A' 1583 ' ' ILE . 91.1 mttt -125.18 154.84 40.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.951 0.405 . . . . 0.0 111.402 -179.462 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -133.17 102.62 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.564 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 60.2 mttp -87.87 132.75 34.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.778 -179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1561 ' ' ALA . . . . . 0.509 ' HB2' HD11 ' A' 1547 ' ' ILE . . . -141.43 167.0 23.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.31 -179.718 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.5 m -108.24 125.52 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.016 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.814 ' HA ' HG11 ' A' 1545 ' ' VAL . 14.0 tp -65.64 112.11 3.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.225 179.314 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.56 ' H ' ' HA ' ' A' 1545 ' ' VAL . 81.9 mt -65.73 -59.48 3.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.204 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' 1543 ' ' TYR . 8.6 m-20 -152.86 154.43 35.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.673 HG12 HD22 ' A' 1563 ' ' LEU . 54.9 mt -102.05 130.52 51.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.906 0.384 . . . . 0.0 111.88 -179.65 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.601 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 52.9 m-85 -106.31 -15.99 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.103 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.633 ' HZ3' ' HA ' ' A' 1535 ' ' CYS . 82.9 tttt -159.93 107.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.412 178.875 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 34.5 m -43.21 137.06 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.361 0.601 . . . . 0.0 112.274 -178.985 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.603 ' H ' ' HB1' ' A' 1574 ' ' ALA . . . -84.09 139.39 18.34 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.597 179.113 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1571 ' ' GLU . . . . . 0.631 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 28.4 mt-10 -53.2 -20.86 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.182 0.515 . . . . 0.0 110.087 179.761 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -90.33 -157.02 0.45 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.735 178.449 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1573 ' ' VAL . . . . . 0.463 ' O ' HG21 ' A' 1573 ' ' VAL . 11.7 p -82.9 42.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.232 0.539 . . . . 0.0 110.978 179.631 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.603 ' HB1' ' H ' ' A' 1570 ' ' GLY . . . -67.52 114.68 6.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.774 179.662 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.574 ' HB2' ' HG ' ' A' 1578 ' ' SER . 23.1 mm-40 -134.02 144.71 48.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.693 ' HZ2' ' HB3' ' A' 1576 ' ' LYS . 6.0 ttpm? -52.07 121.66 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.68 -179.951 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.617 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 65.7 60.14 0.72 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.732 -179.855 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.574 ' HG ' ' HB2' ' A' 1575 ' ' GLU . 52.2 m -115.48 -175.86 2.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.718 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -105.48 133.74 49.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.716 179.772 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.591 HD11 ' HE2' ' A' 1582 ' ' PHE . 8.5 pt -139.38 140.36 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 -179.639 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 18.9 m -122.34 112.96 18.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.591 ' HE2' HD11 ' A' 1580 ' ' ILE . 89.7 m-85 -98.43 101.33 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.772 179.729 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.682 HG23 ' HG2' ' A' 1558 ' ' LYS . 36.1 pt -85.65 158.82 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.213 -179.801 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.648 ' HZ1' ' HB2' ' A' 1588 ' ' CYS . 6.0 tmmm? -164.03 143.33 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.445 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' 1584 ' ' LYS . 46.0 mmtm -57.6 -89.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.061 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1586 ' ' VAL . . . . . 0.495 ' HB ' ' O ' ' A' 1555 ' ' VAL . 14.6 p 177.25 -15.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.6 p -68.12 -36.52 79.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.061 -179.727 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.648 ' HB2' ' HZ1' ' A' 1584 ' ' LYS . 3.3 m -60.64 95.19 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 61.0 m -92.01 -36.58 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.354 -179.749 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.43 -26.52 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.735 ' HB1' ' HA3' ' A' 1515 ' ' GLY . . . -95.97 119.27 34.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -150.14 148.57 29.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.783 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1593 ' ' LEU . . . . . 0.632 HD12 HD13 ' A' 1547 ' ' ILE . 92.1 mt -128.38 145.3 51.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.639 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 57.6 t -105.2 141.54 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1595 ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.1 tttm -77.67 133.06 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 94.75 -15.04 64.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.733 179.653 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.639 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 93.6 mtt180 -92.11 173.94 7.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.047 0.451 . . . . 0.0 111.481 -179.812 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -113.61 138.53 50.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -142.98 135.52 27.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.964 0.412 . . . . 0.0 111.43 -179.804 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.585 ' O ' ' HA ' ' A' 1627 ' ' ILE . 46.9 tp -83.53 134.26 34.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.881 179.06 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.483 HG21 ' HE1' ' A' 1541 ' ' TYR . 83.4 mt -131.17 131.9 63.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.091 0.472 . . . . 0.0 112.173 -179.072 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.498 ' HB3' HG22 ' A' 1539 ' ' ILE . 28.0 mtm -144.92 123.19 12.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.93 179.018 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.86 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.95 -170.91 41.56 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.049 -1.072 . . . . 0.0 113.336 -179.587 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.473 ' HZ1' ' HA ' ' A' 1538 ' ' GLU . 37.6 mmtm -51.27 165.37 0.14 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.881 0.372 . . . . 0.0 111.387 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.631 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.5 pt-20 -71.02 -170.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.055 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -95.09 -178.65 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.25 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.569 ' O ' ' HA ' ' A' 1617 ' ' TYR . 94.8 mt -103.21 -164.05 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -174.63 102.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.457 HG21 ' CB ' ' A' 1616 ' ' ARG . 10.0 tp -95.96 4.91 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.403 -179.319 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.535 ' HA ' ' HD1' ' A' 1615 ' ' PHE . 0.0 OUTLIER 60.33 -160.43 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.287 179.557 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A 1611 ' ' TYR . . . . . 0.525 ' HB2' ' O ' ' A' 1610 ' ' LYS . 78.2 m-85 75.98 28.11 0.88 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.207 179.738 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -150.34 173.67 13.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.649 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -75.46 6.8 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.615 179.633 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.7 p -170.97 22.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.137 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.572 ' HD2' ' HE1' ' A' 1617 ' ' TYR . 6.5 m-85 65.93 168.55 0.21 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.74 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.638 ' HG2' HG22 ' A' 1618 ' ' ILE . 34.6 ttm180 -71.04 -68.45 0.44 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 0.0 111.839 -178.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.572 ' HE1' ' HD2' ' A' 1615 ' ' PHE . 21.4 m-85 67.95 94.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.18 -179.405 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.638 HG22 ' HG2' ' A' 1616 ' ' ARG . 40.9 pt -123.0 163.94 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.602 179.16 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1619 ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' A' 1582 ' ' PHE . 6.3 m-85 -116.54 129.44 25.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.129 -179.133 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.07 -177.69 3.66 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.645 2.23 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1621 ' ' LEU . . . . . . . . . . . . . 58.6 tp -153.65 111.45 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -161.75 -164.51 1.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.3 p -60.12 -39.52 86.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.219 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.521 HD12 ' HG2' ' A' 1538 ' ' GLU . 66.1 tp -59.71 -25.9 65.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.856 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 46.2 m -80.2 100.02 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.057 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1626 ' ' TRP . . . . . 0.425 ' O ' ' HA ' ' A' 1601 ' ' ILE . 69.4 t-105 -70.68 110.87 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' 1600 ' ' LEU . 67.5 mt -124.48 132.22 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.97 179.922 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -134.5 137.93 44.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.408 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 50.0 t80 -72.51 110.31 6.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.774 179.663 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -84.45 111.9 37.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.239 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.471 ' HB2' HD13 ' A' 1643 ' ' LEU . 83.1 Cg_exo -47.21 106.57 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.584 2.189 . . . . 0.0 112.454 -179.586 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -54.24 -33.15 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.022 179.847 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -106.41 157.38 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.864 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.4 p -131.27 -65.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.277 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 77.2 p -107.64 6.8 28.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.156 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 82.2 m -65.08 -47.54 76.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 46.7 t -163.15 -5.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 41.9 t -90.91 -30.49 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.919 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 49.8 t 56.33 69.82 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 37.28 73.8 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.738 179.581 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -90.3 -65.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 58.7 t80 -102.2 -13.64 17.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.727 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.864 ' HG ' HG22 ' A' 1634 ' ' THR . 2.5 mm? -67.63 -19.23 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.962 -179.798 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.95 99.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -76.1 -24.3 54.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.893 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.51 HD11 HD11 ' A' 1643 ' ' LEU . 97.2 mt -77.59 -27.63 51.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -67.77 -29.39 68.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.751 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.31 7.45 22.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.87 179.827 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.597 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 80.5 t80 -117.62 -40.63 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -69.37 -48.64 60.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -79.27 -4.86 52.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.222 -179.55 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.4 t70 -95.77 -25.1 16.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A 1653 ' ' ILE . . . . . . . . . . . . . 9.0 tp -96.68 -22.13 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 179.736 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 45.2 t80 -89.15 -46.95 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.39 -63.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.009 -179.343 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.635 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -70.12 -43.22 71.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.167 -179.594 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 62.55 -168.46 17.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 -179.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.7 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.907 179.926 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.1 p -88.06 3.79 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1510 ' ' HIS . . . . . 0.625 ' HE2' ' HB ' ' A' 1587 ' ' THR . 43.7 t60 -81.13 -45.09 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.6 ptt? -98.87 150.55 21.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -168.38 -74.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -140.38 26.18 2.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.741 179.823 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1514 ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' 1588 ' ' CYS . 7.4 t -48.78 103.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.267 179.67 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1515 ' ' GLY . . . . . 0.783 ' HA3' ' HB3' ' A' 1591 ' ' ALA . . . 80.27 45.54 8.06 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.609 -178.911 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -45.23 123.78 4.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.532 -179.495 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1517 ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' 1515 ' ' GLY . 63.3 mtt -121.66 -169.56 1.89 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.803 179.578 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -123.98 158.26 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -71.61 177.66 3.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.081 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.59 -80.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 82.7 mt -101.71 108.48 20.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -128.02 97.61 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.41 91.67 8.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.227 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.4 t -177.48 -16.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.849 179.694 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 76.6 mt -94.81 127.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1526 ' ' SER . . . . . 0.488 ' HB2' ' OG1' ' A' 1529 ' ' THR . 36.7 m -87.41 163.46 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -62.53 -57.94 9.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1528 ' ' GLU . . . . . 0.537 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 6.1 pt-20 -58.62 -26.01 63.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.543 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1529 ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' A' 1526 ' ' SER . 85.1 m -58.15 -44.23 87.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.315 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1530 ' ' ARG . . . . . 0.431 ' NH2' HD21 ' A' 1646 ' ' LEU . 49.7 ptt85 -100.36 -14.15 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 -179.812 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1531 ' ' LYS . . . . . 0.537 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 1.2 tmtp? -68.25 -38.07 81.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.915 -179.798 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1532 ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.0 mt-30 -58.89 -18.79 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.951 0.405 . . . . 0.0 110.268 179.492 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.818 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 45.7 m -83.48 -28.86 28.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.578 179.619 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.98 73.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.014 179.737 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.8 t -87.85 2.02 52.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.584 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1536 ' ' LYS . . . . . 0.818 ' HE2' ' HA ' ' A' 1533 ' ' THR . 23.5 ttmm -57.81 138.82 82.66 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 179.91 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.38 -20.05 61.36 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.451 2.101 . . . . 0.0 112.143 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1538 ' ' GLU . . . . . 0.573 ' H ' ' HG2' ' A' 1536 ' ' LYS . 41.4 tt0 -85.53 -16.92 37.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.771 179.853 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1539 ' ' ILE . . . . . 0.744 HD13 ' HA2' ' A' 1603 ' ' GLY . 48.8 mm -112.19 118.44 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.891 179.874 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1540 ' ' ALA . . . . . 0.459 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -77.92 -69.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.599 -179.774 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1541 ' ' TYR . . . . . 0.482 ' HB2' ' CE2' ' A' 1543 ' ' TYR . 7.2 p90 -96.48 151.64 19.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.372 0.606 . . . . 0.0 112.089 -178.842 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1542 ' ' ALA . . . . . 0.482 ' HB3' ' SD ' ' A' 1602 ' ' MET . . . -146.12 97.84 3.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.699 179.305 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1543 ' ' TYR . . . . . 0.788 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.2 p90 -154.03 174.29 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.135 0.493 . . . . 0.0 112.107 -178.735 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.505 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 62.4 pttt -111.02 147.78 34.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.596 178.819 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1545 ' ' VAL . . . . . 0.801 HG13 ' HA ' ' A' 1563 ' ' LEU . 13.4 m -137.64 -176.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.94 0.4 . . . . 0.0 111.662 -178.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1546 ' ' SER . . . . . 0.747 ' HB2' HD12 ' A' 1564 ' ' LEU . 23.0 t -145.04 124.9 13.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.932 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 42.6 mm -69.48 138.5 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.79 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 66.3 p -128.81 -29.59 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.618 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.573 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 72.9 m -151.27 152.98 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 111.424 -179.521 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1550 ' ' ILE . . . . . 0.47 HG12 ' HD2' ' A' 1559 ' ' TYR . 76.5 mt -133.98 134.92 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 83.0 m -136.35 129.02 30.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.227 -179.866 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1552 ' ' VAL . . . . . 0.662 HG12 HG23 ' A' 1557 ' ' VAL . 93.7 t -101.58 124.22 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -116.67 95.73 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 13.7 m120 56.69 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.353 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1555 ' ' VAL . . . . . 0.448 HG12 HG13 ' A' 1586 ' ' VAL . 88.7 t -107.11 -58.37 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.042 -179.851 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -69.09 119.24 13.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1557 ' ' VAL . . . . . 0.662 HG23 HG12 ' A' 1552 ' ' VAL . 59.8 t -95.28 114.97 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1558 ' ' LYS . . . . . 0.513 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.9 OUTLIER -86.64 160.31 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.918 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A 1559 ' ' TYR . . . . . 0.509 ' HH ' ' HE2' ' A' 1584 ' ' LYS . 97.2 m-85 -139.5 112.32 7.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1560 ' ' LYS . . . . . 0.573 ' HB2' ' HB2' ' A' 1549 ' ' SER . 75.7 mmtt -85.4 102.66 13.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.578 179.744 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -122.97 -177.35 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.187 -179.723 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.6 m -136.45 124.98 23.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1563 ' ' LEU . . . . . 0.801 ' HA ' HG13 ' A' 1545 ' ' VAL . 3.7 tt -59.94 136.26 57.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.561 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1564 ' ' LEU . . . . . 0.747 HD12 ' HB2' ' A' 1546 ' ' SER . 91.7 mt -96.16 -49.03 5.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.526 -179.091 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1565 ' ' ASP . . . . . 0.486 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 9.7 t70 -156.74 127.31 6.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1566 ' ' ILE . . . . . 0.788 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 2.7 pt -87.53 110.42 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.937 -179.686 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1567 ' ' TYR . . . . . 0.654 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 79.8 m-85 -85.2 -16.19 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.6 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1568 ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.9 tmtt? -157.94 87.61 0.94 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.823 178.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1569 ' ' THR . . . . . 0.4 ' HG1' HD11 ' A' 1566 ' ' ILE . 97.8 m -36.34 136.11 0.34 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.418 -178.705 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1570 ' ' GLY . . . . . 0.451 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -71.34 -153.74 1.45 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.156 179.493 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -129.59 -19.45 3.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.87 0.367 . . . . 0.0 110.553 179.71 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -110.84 73.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.385 179.33 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 90.8 t 53.74 91.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.173 -179.506 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1574 ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' 1575 ' ' GLU . . . -129.41 146.58 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1575 ' ' GLU . . . . . 0.861 ' HB2' ' HB3' ' A' 1578 ' ' SER . 13.8 mm-40 -156.04 159.57 39.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.802 -179.722 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.689 ' HB3' HG12 ' A' 1566 ' ' ILE . 0.0 OUTLIER -78.23 39.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.26 -179.737 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A 1577 ' ' ASP . . . . . 0.703 ' HA ' ' O ' ' A' 1563 ' ' LEU . 18.7 t70 165.41 16.7 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.567 -179.49 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1578 ' ' SER . . . . . 0.861 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 31.7 p -76.13 -170.45 1.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.044 0.45 . . . . 0.0 111.31 -179.754 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -97.85 147.99 23.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.572 179.885 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1580 ' ' ILE . . . . . 0.647 HD12 ' HE2' ' A' 1582 ' ' PHE . 20.5 pt -146.08 147.18 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.46 -179.616 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 15.4 m -136.41 100.4 4.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1582 ' ' PHE . . . . . 0.647 ' HE2' HD12 ' A' 1580 ' ' ILE . 90.6 m-85 -84.74 152.68 23.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.06 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1583 ' ' ILE . . . . . 0.804 HD12 HD13 ' A' 1618 ' ' ILE . 36.9 pt -135.32 136.79 50.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 179.563 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1584 ' ' LYS . . . . . 0.509 ' HE2' ' HH ' ' A' 1559 ' ' TYR . 37.3 ttpt -132.53 145.86 51.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.701 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1585 ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.7 mptp? -82.4 129.17 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 179.625 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1586 ' ' VAL . . . . . 0.448 HG13 HG12 ' A' 1555 ' ' VAL . 12.2 p -65.7 -8.43 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1587 ' ' THR . . . . . 0.625 ' HB ' ' HE2' ' A' 1510 ' ' HIS . 66.7 p -86.74 -6.74 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.57 -179.767 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1588 ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' 1514 ' ' CYS . 34.0 m -72.77 -178.06 2.56 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.905 0.383 . . . . 0.0 111.051 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 48.9 m -154.62 -23.54 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 -179.841 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.18 9.03 38.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.07 -179.677 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1591 ' ' ALA . . . . . 0.783 ' HB3' ' HA3' ' A' 1515 ' ' GLY . . . -122.69 114.56 20.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 111.191 179.851 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -139.78 140.47 36.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.728 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 88.6 mt -125.65 169.8 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1594 ' ' VAL . . . . . 0.768 HG12 ' HD2' ' A' 1597 ' ' ARG . 11.9 p -145.98 147.23 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -90.79 127.44 36.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.025 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 115.65 -24.23 10.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.771 179.796 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.768 ' HD2' HG12 ' A' 1594 ' ' VAL . 91.6 mtt180 -96.96 176.12 6.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 111.485 -179.857 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -116.83 150.08 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1599 ' ' TYR . . . . . 0.62 ' HH ' HG11 ' A' 1594 ' ' VAL . 82.7 m-85 -142.94 144.91 32.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.495 -179.742 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1600 ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' 1627 ' ' ILE . 50.1 tp -93.65 120.98 34.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.208 179.3 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1601 ' ' ILE . . . . . 0.496 HD13 HG22 ' A' 1545 ' ' VAL . 3.1 mp -117.21 129.47 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 112.053 -179.164 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1602 ' ' MET . . . . . 0.482 ' SD ' ' HB3' ' A' 1542 ' ' ALA . 31.6 mtm -141.62 111.1 6.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.481 178.841 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.744 ' HA2' HD13 ' A' 1539 ' ' ILE . . . -159.71 -177.32 32.7 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 119.995 -1.098 . . . . 0.0 113.651 -178.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1604 ' ' LYS . . . . . 0.535 ' HG3' ' N ' ' A' 1605 ' ' GLU . 16.7 tppt? -62.07 163.52 7.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.688 0.28 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1605 ' ' GLU . . . . . 0.535 ' N ' ' HG3' ' A' 1604 ' ' LYS . 32.9 tt0 -48.02 150.77 1.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.248 179.9 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -68.27 177.33 2.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1607 ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' 1607 ' ' LEU . 7.1 mp -78.97 176.61 9.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.733 179.873 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1608 ' ' GLN . . . . . 0.662 ' HG2' ' HE1' ' A' 1617 ' ' TYR . 46.6 mt-30 -151.42 96.06 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.317 -179.721 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1609 ' ' ILE . . . . . 0.403 ' HB ' ' HB3' ' A' 1616 ' ' ARG . 1.7 mm -100.15 -10.96 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.461 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1610 ' ' LYS . . . . . 0.851 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 20.8 ptmt 34.87 77.14 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.729 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 78.9 t80 -84.04 112.84 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.609 179.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1612 ' ' ASN . . . . . 0.565 HD21 ' N ' ' A' 1612 ' ' ASN . 0.8 OUTLIER 59.75 -156.25 0.34 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 -179.761 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -56.4 -18.54 11.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.835 0.35 . . . . 0.0 111.256 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 37.3 t -99.44 176.01 5.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1615 ' ' PHE . . . . . 0.851 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 76.8 m-85 -120.57 142.8 49.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1616 ' ' ARG . . . . . 0.403 ' HB3' ' HB ' ' A' 1609 ' ' ILE . 79.3 ttt180 -104.75 104.89 14.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1617 ' ' TYR . . . . . 0.662 ' HE1' ' HG2' ' A' 1608 ' ' GLN . 29.6 m-85 -107.62 126.31 52.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1618 ' ' ILE . . . . . 0.804 HD13 HD12 ' A' 1583 ' ' ILE . 25.0 pt -139.26 156.01 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.701 179.516 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -112.82 132.67 22.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.289 -179.297 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.86 176.95 8.75 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.63 2.22 . . . . 0.0 112.254 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1621 ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' 1582 ' ' PHE . 98.3 mt -145.2 23.31 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.35 -167.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.272 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.8 p -61.84 -44.33 97.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.247 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1624 ' ' LEU . . . . . 0.442 ' O ' HD12 ' A' 1624 ' ' LEU . 3.0 tm? -56.53 -31.19 63.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 37.9 m -62.16 116.52 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.283 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -85.98 112.92 21.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1627 ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.3 mt -126.63 130.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -138.53 114.59 10.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1629 ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 66.2 t80 -53.14 132.2 37.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.195 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1630 ' ' TRP . . . . . 0.414 ' CE2' HD13 ' A' 1646 ' ' LEU . 4.5 t-105 -99.39 105.62 34.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.229 179.488 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1631 ' ' PRO . . . . . 0.775 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 72.0 Cg_exo -48.41 105.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.56 2.174 . . . . 0.0 112.546 -179.75 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -68.79 -36.07 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -75.54 140.11 42.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1634 ' ' THR . . . . . 0.692 HG23 ' HG ' ' A' 1643 ' ' LEU . 65.6 p -150.63 84.22 1.36 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.4 HG21 ' OE1' ' A' 1640 ' ' GLN . 40.5 p -55.59 -22.94 24.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.312 179.88 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 75.6 m -86.19 -176.9 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 80.8 p -106.79 8.75 31.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -179.898 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 53.2 m -150.9 -50.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1639 ' ' CYS . . . . . 0.401 ' HA ' ' HB3' ' A' 1643 ' ' LEU . 30.1 p -153.01 126.58 8.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 -179.902 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1640 ' ' GLN . . . . . 0.811 ' HB3' HD21 ' A' 1643 ' ' LEU . 7.8 tt0 -86.08 -98.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.388 -179.681 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -98.43 -86.98 0.35 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.808 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1642 ' ' PHE . . . . . 0.775 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 32.0 t80 -65.18 -16.48 63.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.394 0.616 . . . . 0.0 109.488 179.117 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1643 ' ' LEU . . . . . 0.811 HD21 ' HB3' ' A' 1640 ' ' GLN . 2.8 mm? -62.63 -28.75 70.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -66.47 -25.25 66.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.635 179.516 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 6.7 m120 -87.49 -30.19 20.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.436 179.705 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1646 ' ' LEU . . . . . 0.55 HD11 HD12 ' A' 1643 ' ' LEU . 76.3 mt -75.47 -26.69 58.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.64 -29.49 67.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -82.96 2.16 36.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.796 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1649 ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' 1653 ' ' ILE . 89.3 t80 -112.14 -43.75 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.852 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -61.17 -16.33 43.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -179.769 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -114.1 -3.16 13.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.137 -179.534 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1652 ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' 1656 ' ' ASN . 19.0 t70 -102.24 -20.91 14.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.251 -179.891 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1653 ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' 1649 ' ' PHE . 9.7 tp -107.09 -25.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 47.4 t80 -85.27 -48.88 8.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1655 ' ' LEU . . . . . 0.455 ' O ' HD22 ' A' 1655 ' ' LEU . 5.4 tt -72.44 -45.07 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.637 -179.378 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A 1656 ' ' ASN . . . . . 0.656 ' N ' HD21 ' A' 1656 ' ' ASN . 0.8 OUTLIER -80.27 -75.62 0.26 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.193 -179.538 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 130.33 -56.46 0.74 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.902 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.511 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 9.5 m-20 . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 111.347 0.128 . . . . 0.0 111.347 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' 1516 ' ' GLN . 12.4 p 39.88 -145.33 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' 1591 ' ' ALA . . . -63.86 77.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.447 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' 1514 ' ' CYS . 20.6 pt20 -42.48 137.14 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.283 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 25.7 mmt -113.46 172.01 7.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.014 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -117.55 173.53 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.825 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.49 154.37 36.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.99 -41.85 25.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.85 111.03 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 10.7 t70 -154.86 121.78 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.755 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.513 HD21 ' HB1' ' A' 1641 ' ' ALA . 93.4 mt -77.02 99.69 5.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1524 ' ' THR . . . . . 0.488 HG23 HG13 ' A' 1525 ' ' ILE . 8.9 t -175.39 -28.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.529 ' HB ' ' HE1' ' A' 1642 ' ' PHE . 60.4 mt -89.83 108.41 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.1 m -85.62 178.05 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.03 68.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.55 -23.34 56.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 49.6 m -66.87 -28.36 68.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.98 0.419 . . . . 0.0 110.759 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.551 HH21 ' HG ' ' A' 1600 ' ' LEU . 46.0 mtp180 -95.7 12.47 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.693 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.818 ' HE2' HD13 ' A' 1653 ' ' ILE . 3.6 tppp? -119.72 -52.44 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.311 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -54.96 -20.75 9.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.459 . . . . 0.0 110.204 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.617 ' O ' HG13 ' A' 1539 ' ' ILE . 35.3 m -104.72 -19.96 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.517 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' 1530 ' ' ARG . . . -70.19 -54.61 12.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1535 ' ' CYS . . . . . 0.423 ' HA ' ' HE2' ' A' 1568 ' ' LYS . 4.5 t -71.7 -2.17 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.731 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 39.6 ttpt -58.64 138.77 86.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.84 -40.09 81.74 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.73 2.287 . . . . 0.0 112.813 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.731 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 0.4 OUTLIER -59.36 -19.55 47.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 110.607 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' 1533 ' ' THR . 17.9 mm -102.18 120.55 52.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.206 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -93.29 -30.37 15.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.742 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.597 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.6 p90 -139.43 158.62 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.144 0.497 . . . . 0.0 111.864 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.461 ' HB1' ' SD ' ' A' 1602 ' ' MET . . . -149.53 89.33 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.253 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.698 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 16.5 p90 -138.81 164.16 30.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.625 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.563 ' NZ ' ' HB3' ' A' 1544 ' ' LYS . 0.0 OUTLIER -111.31 130.73 55.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.149 179.546 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.2 m -125.67 -178.92 2.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.661 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 16.4 t -142.07 140.73 32.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.73 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' 1561 ' ' ALA . 45.2 mm -78.33 137.38 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1548 ' ' THR . . . . . 0.451 ' O ' ' HE3' ' A' 1595 ' ' LYS . 5.2 t -134.51 -17.0 2.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.277 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.765 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 57.8 m -156.71 146.14 20.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 60.8 mt -135.81 138.01 48.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1551 ' ' THR . . . . . 0.55 ' O ' ' HB ' ' A' 1557 ' ' VAL . 64.0 m -115.69 136.67 52.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.894 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 41.0 t -134.2 125.2 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1553 ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' 1556 ' ' PHE . 43.9 mt-10 -116.24 -161.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -53.98 -53.1 57.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.195 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' 1556 ' ' PHE . 6.9 m -132.67 -51.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.42 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.493 ' O ' ' HB2' ' A' 1553 ' ' GLU . 52.0 m-85 -82.21 131.46 35.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' A' 1551 ' ' THR . 8.0 m -125.98 160.78 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.677 ' HG2' HG22 ' A' 1583 ' ' ILE . 86.9 mttt -126.76 170.99 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.794 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' 1581 ' ' THR . 96.6 m-85 -140.7 112.92 7.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.765 ' HB2' ' HB2' ' A' 1549 ' ' SER . 75.8 mmtt -92.08 107.92 19.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.45 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.508 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.32 152.48 50.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.404 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -102.6 141.06 36.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.091 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.861 ' HA ' HG12 ' A' 1545 ' ' VAL . 7.3 tt -77.38 135.4 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.4 mp -92.92 -48.36 6.57 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.008 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.8 t70 -160.37 145.12 14.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.916 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.698 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 59.8 mt -108.7 126.05 65.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.942 0.401 . . . . 0.0 111.887 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' 1542 ' ' ALA . 77.9 m-85 -99.32 -25.0 14.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.43 ' HB2' ' N ' ' A' 1542 ' ' ALA . 28.9 mtpp -140.33 113.36 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.649 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 45.6 m -46.56 141.08 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.607 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.776 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.58 131.36 10.56 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.646 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.692 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 41.8 mt-10 -60.68 -26.73 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.416 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.578 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -90.54 67.23 6.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.511 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' 1573 ' ' VAL . 7.2 p 38.19 80.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.058 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.776 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.46 128.73 56.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.496 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.413 ' CG ' ' HB3' ' A' 1578 ' ' SER . 12.5 pt-20 -143.4 160.14 41.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.972 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 24.1 tptm -53.66 110.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.685 ' HA ' ' O ' ' A' 1563 ' ' LEU . 14.5 t70 61.08 80.98 0.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.113 0.482 . . . . 0.0 110.789 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.555 ' H ' ' HB3' ' A' 1563 ' ' LEU . 49.8 p -114.84 -166.68 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.11 102.2 8.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.494 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.726 HD12 ' HE1' ' A' 1582 ' ' PHE . 24.2 pt -108.84 148.4 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.362 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1581 ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' 1559 ' ' TYR . 59.9 m -136.39 118.37 15.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.726 ' HE1' HD12 ' A' 1580 ' ' ILE . 59.8 m-85 -99.69 128.35 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.677 HG22 ' HG2' ' A' 1558 ' ' LYS . 16.1 pt -121.52 149.8 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.54 ' HB3' HD23 ' A' 1621 ' ' LEU . 0.0 OUTLIER -170.08 177.61 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 179.268 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' 1584 ' ' LYS . 95.1 mttt -89.17 158.14 18.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.008 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.5 p -75.17 -3.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.002 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.5 p -73.64 0.62 12.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.323 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.647 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 42.7 t -76.34 112.07 12.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1589 ' ' THR . . . . . 0.4 ' O ' HG22 ' A' 1589 ' ' THR . 5.0 m -115.24 34.04 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.511 ' OD1' ' HA ' ' A' 1513 ' ' ASP . 15.2 m120 -145.11 -11.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.473 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.647 ' HB3' ' SG ' ' A' 1588 ' ' CYS . . . -127.61 130.22 48.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.347 . . . . 0.0 111.496 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -147.73 103.91 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.67 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.7 mt -82.43 151.44 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 46.3 t -116.13 141.16 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.451 ' HE3' ' O ' ' A' 1548 ' ' THR . 87.3 tttt -79.48 106.35 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 124.75 -17.07 7.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.724 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -92.31 175.03 7.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.028 0.442 . . . . 0.0 111.308 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -116.27 148.64 40.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.628 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -142.36 140.59 32.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 111.378 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.645 HD11 ' HG3' ' A' 1602 ' ' MET . 3.2 tm? -91.72 142.18 27.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.878 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.564 ' H ' HD22 ' A' 1600 ' ' LEU . 87.1 mt -138.6 130.11 36.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.645 ' HG3' HD11 ' A' 1600 ' ' LEU . 17.5 mtm -144.06 104.58 4.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.7 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.579 ' N ' HG23 ' A' 1539 ' ' ILE . . . -167.62 179.59 40.95 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.335 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.6 tppp? -59.41 162.8 4.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.692 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 13.0 pt-20 -62.28 179.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.578 ' H ' ' HB2' ' A' 1572 ' ' ALA . . . -106.7 158.83 16.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.203 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' 1607 ' ' LEU . 3.8 pp -65.03 147.71 52.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.425 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.508 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 20.0 mt-30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.175 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.508 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 76.1 m-85 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.773 0.321 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.461 HD13 ' N ' ' A' 1618 ' ' ILE . 0.1 OUTLIER 32.74 94.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.188 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.494 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 59.6 m-85 -49.33 139.63 13.87 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.48 -19.18 17.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.452 2.101 . . . . 0.0 112.38 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' 1584 ' ' LYS . 51.5 tp 54.96 92.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.979 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -121.94 -174.86 2.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 56.9 p -73.78 -28.2 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.478 ' C ' HD12 ' A' 1624 ' ' LEU . 3.8 pp -62.16 -33.09 73.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.36 . . . . 0.0 110.645 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.5 ' O ' HG13 ' A' 1627 ' ' ILE . 47.4 m -59.35 93.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.192 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' A' 1601 ' ' ILE . 63.7 t-105 -59.18 103.85 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.759 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.552 ' HA ' ' O ' ' A' 1600 ' ' LEU . 72.9 mt -119.17 132.52 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.21 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -139.38 117.43 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 20.5 t80 -56.44 121.89 10.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.448 ' CH2' ' HB3' ' A' 1646 ' ' LEU . 2.1 t-105 -99.6 107.43 45.63 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.239 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.484 ' HB2' HD11 ' A' 1643 ' ' LEU . 89.2 Cg_exo -46.8 104.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.502 2.135 . . . . 0.0 112.415 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -53.49 -31.81 47.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -110.1 154.67 22.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.696 HG22 HD13 ' A' 1643 ' ' LEU . 81.8 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.904 0.383 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1641 ' ' ALA . . . . . 0.513 ' HB1' HD21 ' A' 1523 ' ' LEU . . . -143.63 -48.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.899 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.529 ' HE1' ' HB ' ' A' 1525 ' ' ILE . 68.6 t80 -72.05 -18.3 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.517 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.696 HD13 HG22 ' A' 1634 ' ' THR . 86.3 mt -83.86 4.21 30.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -89.67 -35.98 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.049 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -82.83 -24.53 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.525 HD12 HD23 ' A' 1643 ' ' LEU . 86.9 mt -71.47 -33.09 69.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.75 -31.25 71.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -70.85 -39.86 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.579 ' HE1' ' HE3' ' A' 1531 ' ' LYS . 90.9 t80 -69.88 -27.15 64.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -54.89 -54.92 36.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.419 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -86.64 -4.01 59.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 23.6 t70 -78.62 -68.94 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.818 HD13 ' HE2' ' A' 1531 ' ' LYS . 4.8 tp -56.61 -32.52 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.938 0.399 . . . . 0.0 110.974 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.89 -49.75 64.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -91.92 -71.54 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.991 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 14.2 m120 -54.27 -74.76 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.599 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 70.88 157.52 2.37 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.232 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.157 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.684 0.278 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.512 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 16.0 t 51.23 95.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.65 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 74.69 43.96 27.31 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.676 -0.774 . . . . 0.0 111.741 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.7 135.23 19.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.908 0.385 . . . . 0.0 111.199 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' 1515 ' ' GLY . 85.7 mtp -129.1 167.23 17.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -91.14 169.72 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.16 172.16 6.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -110.1 113.75 26.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 84.1 mt 59.49 97.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.484 ' O ' HG22 ' A' 1524 ' ' THR . 8.4 t70 -160.73 89.16 0.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.586 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.889 ' H ' HD22 ' A' 1523 ' ' LEU . 0.5 OUTLIER -56.36 101.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1524 ' ' THR . . . . . 0.484 HG22 ' O ' ' A' 1522 ' ' ASP . 10.5 t -173.44 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 9.8 mm -60.5 150.74 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1526 ' ' SER . . . . . 0.475 ' HB2' ' OG1' ' A' 1529 ' ' THR . 54.6 m -118.52 140.04 50.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.0 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' 1532 ' ' GLN . 15.2 mm-40 -84.36 -35.5 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1529 ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' 1526 ' ' SER . 78.7 m -57.98 -34.57 70.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.611 HH12 HD23 ' A' 1646 ' ' LEU . 67.7 mtt180 -76.25 -34.22 59.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.737 ' HE2' HD13 ' A' 1653 ' ' ILE . 2.8 tppp? -72.78 -29.21 63.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.166 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.3 mm-40 -61.81 -16.47 50.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.982 0.42 . . . . 0.0 110.362 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.825 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 28.7 m -116.85 -19.29 9.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.617 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' 1531 ' ' LYS . . . -78.81 -25.07 44.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.203 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.8 t -85.43 -14.62 45.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.825 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.8 mtmt -79.28 149.61 72.81 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.9 -11.51 15.35 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.727 2.285 . . . . 0.0 112.418 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.435 ' C ' HD12 ' A' 1539 ' ' ILE . 40.2 tt0 -61.1 -34.43 74.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.769 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.939 HG21 ' HG2' ' A' 1602 ' ' MET . 2.6 mp -112.76 130.15 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.11 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.826 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -95.13 -58.45 2.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.27 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.573 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.2 p90 -105.53 157.28 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.276 0.56 . . . . 0.0 111.922 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.53 94.88 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.214 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.785 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 24.1 p90 -144.99 165.86 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.165 0.507 . . . . 0.0 111.873 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.505 ' HD2' HD12 ' A' 1564 ' ' LEU . 18.4 ttmt -105.19 141.27 37.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.914 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.776 HG11 HD11 ' A' 1580 ' ' ILE . 17.9 m -131.14 179.79 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.998 0.427 . . . . 0.0 111.631 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' 1564 ' ' LEU . 59.9 p -140.06 115.74 10.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.038 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.733 HD13 ' HB2' ' A' 1561 ' ' ALA . 45.9 mm -59.25 139.01 19.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.596 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 76.9 p -138.76 2.13 2.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.89 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 47.4 t -173.18 160.46 4.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.992 0.425 . . . . 0.0 111.572 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.411 HG23 ' CD1' ' A' 1559 ' ' TYR . 81.1 mt -140.3 111.63 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.622 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 56.5 m -114.23 139.57 49.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.248 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.5 p -140.84 135.83 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -100.1 -75.92 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -145.11 -51.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 88.6 t -124.26 -54.39 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.68 100.87 8.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' 1584 ' ' LYS . 13.7 p -81.35 148.04 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.717 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -134.99 112.4 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.433 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 70.5 m-85 -94.27 138.63 32.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.964 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.89 ' HB3' ' HB3' ' A' 1549 ' ' SER . 4.7 tppp? -99.28 128.34 45.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -145.7 138.37 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 111.6 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.3 m -91.71 125.19 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.831 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.773 ' HA ' HG12 ' A' 1545 ' ' VAL . 7.4 tt -59.86 130.27 45.94 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' 1546 ' ' SER . 78.1 mt -88.37 -46.56 9.07 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.196 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.477 ' N ' HD23 ' A' 1563 ' ' LEU . 14.5 t70 -169.43 139.97 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.913 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.785 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 61.2 mt -97.27 121.92 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.762 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.499 ' OH ' ' HE3' ' A' 1544 ' ' LYS . 11.3 m-85 -96.61 -17.38 20.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.331 0.586 . . . . 0.0 109.464 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.495 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 63.0 tttp -150.05 102.13 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.714 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1569 ' ' THR . . . . . 0.419 ' HA ' HG21 ' A' 1566 ' ' ILE . 24.3 m -41.68 135.55 2.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.068 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.668 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -84.4 139.75 18.41 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.661 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.826 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 29.6 mt-10 -52.42 -22.34 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.122 0.487 . . . . 0.0 110.058 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -86.44 -157.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.671 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' 1573 ' ' VAL . 12.4 p -84.15 42.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.254 0.549 . . . . 0.0 111.006 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.668 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -61.77 130.01 43.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' 1563 ' ' LEU . 39.1 tt0 -145.9 145.58 30.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.736 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.451 ' HA ' HD22 ' A' 1563 ' ' LEU . 39.9 ttpt -58.42 126.12 26.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.546 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.713 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.2 t70 64.53 38.49 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.458 ' H ' ' HB3' ' A' 1563 ' ' LEU . 29.7 t -87.79 -178.86 6.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1579 ' ' GLU . . . . . 0.402 ' N ' ' OG ' ' A' 1578 ' ' SER . 41.2 tt0 -107.63 121.51 44.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.512 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.776 HD11 HG11 ' A' 1545 ' ' VAL . 14.6 pt -136.57 149.93 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 111.732 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 53.5 m -128.17 112.74 14.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.547 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' 1619 ' ' TYR . 17.9 m-85 -81.22 104.56 11.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.273 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.657 HG23 ' HA ' ' A' 1620 ' ' PRO . 8.2 tt -88.49 123.4 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.716 ' HD3' HD23 ' A' 1621 ' ' LEU . 35.8 ttpt -129.44 168.06 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.775 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.67 ' HB3' HG22 ' A' 1587 ' ' THR . 3.5 mptp? -99.39 136.77 38.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.397 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 35.9 m -77.97 8.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.398 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1587 ' ' THR . . . . . 0.67 HG22 ' HB3' ' A' 1585 ' ' LYS . 6.6 t -93.18 -5.58 49.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.363 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.512 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 83.1 m -65.22 174.87 1.86 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1589 ' ' THR . . . . . 0.456 ' O ' HG22 ' A' 1589 ' ' THR . 6.0 m -148.51 11.34 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -135.07 -19.61 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.331 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -87.02 126.4 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.362 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -139.72 137.53 35.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.792 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.468 ' HB3' HH22 ' A' 1597 ' ' ARG . 98.9 mt -135.66 135.55 40.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.073 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 1.6 p -132.42 100.81 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.408 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 53.5 tttp -45.97 108.78 0.14 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.225 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 153.32 21.45 0.05 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.081 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.535 ' HD3' ' N ' ' A' 1597 ' ' ARG . 0.3 OUTLIER -160.51 -178.57 6.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 111.113 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -107.1 158.58 16.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.514 ' HE2' ' HE ' ' A' 1597 ' ' ARG . 2.3 m-85 -142.96 161.4 38.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 111.595 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.903 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 3.3 tm? -117.1 129.05 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.772 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.623 HD13 HG22 ' A' 1545 ' ' VAL . 2.4 mp -118.02 132.59 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.997 0.427 . . . . 0.0 111.514 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.939 ' HG2' HG21 ' A' 1539 ' ' ILE . 24.8 ttp -150.14 110.65 4.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.108 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.862 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -174.65 -173.12 40.3 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 119.74 -1.219 . . . . 0.0 113.642 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.505 ' H ' HD11 ' A' 1624 ' ' LEU . 23.7 tptp -50.37 161.47 0.3 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.858 0.361 . . . . 0.0 111.372 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.1 pt-20 -59.95 178.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.464 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.512 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -77.78 -170.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.25 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' 1617 ' ' TYR . 94.6 mt -123.14 -168.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.996 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 20.5 pt20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.151 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' 1607 ' ' LEU . 3.4 m-85 . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.523 0.201 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.476 HD12 HG21 ' A' 1583 ' ' ILE . 20.6 pt -54.83 155.61 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' 1582 ' ' PHE . 7.7 m-85 -110.54 113.64 55.67 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.013 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1620 ' ' PRO . . . . . 0.657 ' HA ' HG23 ' A' 1583 ' ' ILE . 32.6 Cg_endo -63.51 176.38 2.22 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.492 2.128 . . . . 0.0 112.179 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.716 HD23 ' HD3' ' A' 1584 ' ' LYS . 48.7 tp -143.71 106.71 4.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -142.52 -163.57 1.64 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 45.5 t -67.87 -41.4 82.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.435 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.505 HD11 ' H ' ' A' 1604 ' ' LYS . 0.1 OUTLIER -56.78 -33.14 66.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.806 0.336 . . . . 0.0 110.686 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 85.7 m -75.74 103.36 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.543 ' HB3' ' HB3' ' A' 1602 ' ' MET . 47.6 t-105 -59.9 119.99 8.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.4 mm -115.37 115.42 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.731 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.903 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 11.0 tp10 -121.6 110.49 16.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.247 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.495 ' CE2' ' HG3' ' A' 1597 ' ' ARG . 13.4 t80 -60.4 124.41 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.427 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.442 ' CH2' ' HB3' ' A' 1646 ' ' LEU . 7.3 t-105 -101.02 108.84 56.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.7 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.696 ' HB2' HD21 ' A' 1643 ' ' LEU . 46.5 Cg_exo -56.28 127.8 27.52 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.562 2.174 . . . . 0.0 112.33 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -94.77 -23.36 17.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.774 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 3.5 p30 -86.16 129.61 34.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.009 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.442 ' HA ' ' HB3' ' A' 1640 ' ' GLN . 68.7 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.921 ' HA ' HD23 ' A' 1643 ' ' LEU . 20.4 pt20 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.936 0.398 . . . . 0.0 111.587 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -101.44 -23.3 14.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.495 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 56.2 t80 -92.81 -20.23 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.029 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.921 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -73.48 -12.61 60.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -82.27 -23.06 35.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -92.05 -10.78 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.745 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.611 HD23 HH12 ' A' 1530 ' ' ARG . 85.8 mt -93.52 -24.45 17.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.06 -25.05 61.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1648 ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' 1652 ' ' ASP . 40.2 tt0 -76.18 -35.3 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' 1653 ' ' ILE . 88.8 t80 -85.72 -22.79 27.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.7 89.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.97 -33.0 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.651 ' CG ' HD22 ' A' 1656 ' ' ASN . 15.4 t70 -50.99 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.414 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.737 HD13 ' HE2' ' A' 1531 ' ' LYS . 7.0 tp -57.34 -32.11 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.374 . . . . 0.0 111.329 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1654 ' ' PHE . . . . . 0.549 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 16.2 t80 -68.82 -30.86 69.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.436 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.549 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 93.8 mt -101.98 -75.05 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.44 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.651 HD22 ' CG ' ' A' 1652 ' ' ASP . 3.9 p-10 -77.66 -59.61 2.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.525 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.707 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 68.26 105.35 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.546 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1658 ' ' CYS . . . . . 0.592 ' H ' ' HZ3' ' A' 1531 ' ' LYS . 34.7 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.154 -0.927 . . . . 0.0 111.223 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.724 0.297 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.524 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 50.4 t 58.98 104.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.76 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 97.26 -60.24 1.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.919 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 59.2 tp60 54.97 97.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.763 0.316 . . . . 0.0 111.389 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.593 ' HE2' HG21 ' A' 1627 ' ' ILE . 62.0 mtt -102.17 156.08 17.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1518 ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' 1628 ' ' GLU . 11.5 pt20 -86.09 -175.29 5.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.482 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 47.1 mt-10 -69.82 -170.36 0.32 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.16 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -133.08 130.58 39.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.344 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 30.6 mt 59.74 17.14 6.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.698 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.679 ' HB3' HG22 ' A' 1524 ' ' THR . 1.6 m-20 -84.84 108.15 17.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.696 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.544 HD23 ' HD1' ' A' 1642 ' ' PHE . 27.3 mt -75.33 5.24 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.967 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1524 ' ' THR . . . . . 0.679 HG22 ' HB3' ' A' 1522 ' ' ASP . 6.7 t -60.71 -24.52 65.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.201 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 69.1 mt -89.87 130.87 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 46.2 t -91.05 167.37 12.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -70.75 -20.94 62.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.4 mt-10 -90.4 -40.09 12.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 59.9 m -58.88 -37.39 76.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.502 HH12 HD23 ' A' 1646 ' ' LEU . 42.1 ttm180 -72.41 -34.5 67.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.736 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.727 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 23.2 tptm -67.35 -27.21 66.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.1 mm-40 -57.43 -20.68 31.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.057 0.456 . . . . 0.0 110.463 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.691 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 89.7 m -90.71 -30.31 17.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.817 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.727 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -72.77 1.53 8.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.527 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1535 ' ' CYS . . . . . 0.442 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 19.2 t -123.79 7.61 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.691 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.7 mtmt -86.81 147.53 43.6 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.051 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.96 -30.01 89.09 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.699 2.266 . . . . 0.0 112.186 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' 1538 ' ' GLU . 0.3 OUTLIER -72.06 -12.27 61.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.521 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' 1603 ' ' GLY . 14.7 mm -115.43 115.22 48.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.152 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.433 ' O ' ' HE3' ' A' 1568 ' ' LYS . . . -92.02 -54.32 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.499 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.503 ' HE1' HG22 ' A' 1601 ' ' ILE . 2.7 p90 -112.21 162.93 14.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.317 0.58 . . . . 0.0 112.066 -178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -153.05 98.71 2.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.725 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.646 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.7 OUTLIER -142.83 -179.27 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.282 0.563 . . . . 0.0 112.45 -178.568 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.536 ' HG2' HD12 ' A' 1564 ' ' LEU . 30.2 ttpt -113.31 125.75 54.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.444 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.723 HG11 HD11 ' A' 1580 ' ' ILE . 19.2 m -118.15 -178.93 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.911 0.386 . . . . 0.0 111.656 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.515 ' HB3' HD11 ' A' 1564 ' ' LEU . 81.8 p -149.71 113.64 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.865 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.848 HD13 ' HB2' ' A' 1561 ' ' ALA . 48.5 mm -55.64 119.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.905 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 3.6 t -115.92 -20.42 9.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.466 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.577 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 39.5 t -147.28 153.55 39.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.009 0.433 . . . . 0.0 111.253 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' 1595 ' ' LYS . 83.9 mt -146.52 140.27 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1551 ' ' THR . . . . . 0.693 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 78.3 m -141.76 127.48 19.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.002 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.601 ' HA ' HG13 ' A' 1557 ' ' VAL . 93.3 t -108.18 126.33 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1553 ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' 1556 ' ' PHE . 13.4 mm-40 -106.46 -166.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -62.33 -72.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 97.0 t -97.76 -44.99 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.401 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' 1553 ' ' GLU . 80.4 m-85 -91.26 169.13 11.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.601 HG13 ' HA ' ' A' 1552 ' ' VAL . 21.3 t -137.53 122.74 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.693 ' HB2' ' HB ' ' A' 1551 ' ' THR . 72.4 mmtt -85.65 148.32 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.222 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.461 ' CE2' ' HE3' ' A' 1584 ' ' LYS . 67.1 m-85 -145.24 142.75 29.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.577 ' HB2' ' HB3' ' A' 1549 ' ' SER . 59.5 mttp -137.48 128.44 27.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.526 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.848 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -137.35 142.41 41.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.66 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.0 m -84.51 124.39 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.993 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' 1543 ' ' TYR . 9.1 tp -66.78 97.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.55 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.536 HD12 ' HG2' ' A' 1544 ' ' LYS . 93.7 mt -54.09 -48.34 70.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.455 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.569 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.9 t70 -166.44 162.05 16.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.542 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.646 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 45.8 mt -109.92 136.65 45.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.019 0.437 . . . . 0.0 111.94 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.433 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 21.7 m-85 -112.88 -17.01 12.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.2 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.65 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.6 tttp -154.31 112.18 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.696 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 58.0 m -45.71 147.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.076 0.465 . . . . 0.0 112.029 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.78 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -104.73 133.85 11.74 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.326 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.53 -27.74 66.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.819 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.16 42.2 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 86.4 t 55.58 90.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.198 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.78 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -110.08 137.75 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.708 ' HG2' ' HB2' ' A' 1578 ' ' SER . 0.8 OUTLIER -144.66 146.58 32.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.496 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.476 ' HG3' ' HA ' ' A' 1565 ' ' ASP . 29.1 ttpp -54.75 148.29 13.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.554 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.9 p30 47.08 40.6 9.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.524 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.708 ' HB2' ' HG2' ' A' 1575 ' ' GLU . 24.8 t -83.4 -166.63 1.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.703 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -131.14 111.38 11.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.508 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.723 HD11 HG11 ' A' 1545 ' ' VAL . 6.3 pt -122.68 144.5 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.999 0.428 . . . . 0.0 111.574 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1581 ' ' THR . . . . . 0.456 HG23 ' O ' ' A' 1559 ' ' TYR . 86.4 m -123.1 123.93 41.95 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.357 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.511 ' HE1' HD12 ' A' 1580 ' ' ILE . 69.2 m-85 -112.63 146.77 38.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.572 HG22 ' HA ' ' A' 1558 ' ' LYS . 29.5 pt -139.73 150.49 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 111.145 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.736 ' HB3' HD23 ' A' 1621 ' ' LEU . 22.1 pttp -145.52 -173.95 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -98.56 -176.42 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.813 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.0 p -88.26 -25.4 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 73.9 p -70.32 -22.82 62.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.326 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.524 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.3 m -59.31 104.64 0.27 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.01 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 57.5 m -102.13 -31.7 10.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -74.95 -19.52 60.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.76 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -108.66 109.37 20.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -142.58 108.06 5.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.729 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.0 mt -83.52 164.73 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.019 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.41 HG21 ' NH1' ' A' 1597 ' ' ARG . 85.7 t -132.46 133.18 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.627 ' HB2' HD12 ' A' 1550 ' ' ILE . 41.0 ttmt -62.74 136.4 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 61.1 68.68 1.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.518 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 39.6 ttm180 -162.59 152.55 16.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.582 ' HB2' ' HB3' ' A' 1630 ' ' TRP . 46.3 mt-30 -91.6 134.5 34.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.305 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.518 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 76.2 m-85 -138.5 144.93 40.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.055 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.76 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 59.8 tp -95.85 118.96 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.347 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.503 HG22 ' HE1' ' A' 1541 ' ' TYR . 80.1 mt -111.88 123.21 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.101 0.477 . . . . 0.0 111.783 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.722 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 79.8 mtp -137.04 107.58 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.105 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' 1539 ' ' ILE . . . -170.15 178.4 42.96 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.159 -1.019 . . . . 0.0 113.265 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.564 ' HD3' ' C ' ' A' 1604 ' ' LYS . 0.0 OUTLIER -58.96 166.26 2.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.568 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.819 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.3 pt-20 -66.0 -168.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.363 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.401 ' H ' ' HB2' ' A' 1572 ' ' ALA . . . -82.91 -171.31 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 22.5 tp -131.66 20.2 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.975 0.417 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.19 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.752 0.31 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 34.8 pt -57.68 139.13 17.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.712 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -97.2 136.21 21.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.142 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.95 -14.52 44.01 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.6 2.2 . . . . 0.0 112.498 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.736 HD23 ' HB3' ' A' 1584 ' ' LYS . 60.9 tp 51.08 89.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.478 ' HB2' ' HG ' ' A' 1624 ' ' LEU . 9.8 m-20 -117.62 -172.77 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' 1515 ' ' GLY . 78.3 p -66.0 -15.43 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' A' 1622 ' ' ASP . 1.4 pp -80.08 -4.09 51.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.4 m -88.67 105.72 17.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.722 ' HB3' ' HB2' ' A' 1602 ' ' MET . 45.4 t-105 -68.64 103.05 1.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.739 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.633 HD11 HD11 ' A' 1621 ' ' LEU . 66.9 mt -110.39 122.28 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.76 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 42.0 tt0 -122.64 147.82 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.54 ' O ' ' HD3' ' A' 1631 ' ' PRO . 20.0 t80 -84.35 124.7 31.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.453 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.582 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 5.0 t-105 -105.36 95.9 10.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.55 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.766 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.6 Cg_exo -55.66 113.81 1.59 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.707 2.271 . . . . 0.0 112.462 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -73.08 -30.51 63.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.787 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.11 129.99 40.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 77.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.791 ' HA ' HD23 ' A' 1643 ' ' LEU . 28.8 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -56.1 -29.69 60.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.544 ' HD1' HD23 ' A' 1523 ' ' LEU . 68.7 t80 -75.78 -30.99 59.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.75 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -78.51 -6.35 55.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.72 -40.88 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.07 -1.27 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' 1643 ' ' LEU . 93.7 mt -95.14 -35.26 11.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.709 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.61 -34.82 78.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.69 -39.86 88.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.45 ' O ' HG22 ' A' 1653 ' ' ILE . 89.9 t80 -63.24 -28.61 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -56.1 -60.76 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -24.25 58.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 21.7 t70 -65.13 -6.77 9.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.269 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.461 HG13 ' HE3' ' A' 1531 ' ' LYS . 20.2 tt -133.03 -25.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.988 0.423 . . . . 0.0 110.899 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.02 -34.61 61.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.836 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' 1655 ' ' LEU . 4.8 tt -80.94 -48.82 11.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.933 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.44 ' ND2' ' H ' ' A' 1657 ' ' GLY . 4.5 p-10 -99.88 -68.06 0.82 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.721 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.44 ' H ' ' ND2' ' A' 1656 ' ' ASN . . . 71.55 100.97 0.06 OUTLIER Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.344 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1658 ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 41.6 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.925 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.614 0.245 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 29.0 t -50.4 107.63 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.9 0.381 . . . . 0.0 110.351 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.452 ' H ' ' HA ' ' A' 1623 ' ' SER . . . 80.97 40.9 11.02 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.744 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -41.64 103.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.32 -0.44 . . . . 0.0 111.229 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' 1515 ' ' GLY . 64.4 mtt -93.91 124.83 38.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -66.07 169.95 6.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -68.8 168.44 13.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.067 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -108.09 130.99 55.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 98.1 mt 55.72 87.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -148.17 102.56 3.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' 1642 ' ' PHE . 97.6 mt -70.69 97.42 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1524 ' ' THR . . . . . 0.53 HG23 HG13 ' A' 1525 ' ' ILE . 6.8 t -167.44 -23.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.53 HG13 HG23 ' A' 1524 ' ' THR . 52.8 mt -97.79 105.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 83.0 p -63.6 164.48 9.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1527 ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -70.86 -8.85 55.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.1 mt-10 -94.91 -31.37 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 69.2 m -62.52 -33.86 75.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' 1530 ' ' ARG . 61.0 mtt180 -83.61 -40.35 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1531 ' ' LYS . . . . . . . . . . . . . 63.9 tttm -59.57 -45.86 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' 1528 ' ' GLU . 79.9 mt-30 -58.14 -24.14 57.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.015 0.436 . . . . 0.0 110.186 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.79 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 60.5 m -86.24 -26.89 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.419 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.12 87.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.959 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 36.9 t -91.22 3.05 55.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.79 ' HE3' ' HA ' ' A' 1533 ' ' THR . 40.6 ttmt -58.26 140.92 83.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.758 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.51 -20.12 32.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.559 2.173 . . . . 0.0 112.227 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' A' 1536 ' ' LYS . 38.9 tt0 -85.11 -23.84 28.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.699 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.866 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -104.79 115.17 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.33 -47.18 18.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.865 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.7 p90 -125.46 155.77 39.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.158 0.504 . . . . 0.0 111.716 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.612 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -143.62 97.96 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.39 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.743 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.5 p90 -149.53 170.11 19.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.051 0.453 . . . . 0.0 111.798 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' 1564 ' ' LEU . 86.3 tttt -104.78 140.77 37.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.457 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.759 HG12 ' HA ' ' A' 1563 ' ' LEU . 24.3 m -137.05 -178.75 2.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.054 0.454 . . . . 0.0 111.628 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 21.0 t -149.28 127.19 11.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.622 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.26 139.72 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1548 ' ' THR . . . . . 0.464 ' O ' ' HE2' ' A' 1595 ' ' LYS . 68.2 p -131.04 -25.77 2.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.598 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.744 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 38.2 t -150.22 156.24 41.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 0.0 111.332 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 79.9 mt -141.65 111.85 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1551 ' ' THR . . . . . 0.854 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 93.1 m -92.04 123.49 35.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 5.2 p -102.11 132.98 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1553 ' ' GLU . . . . . 0.618 ' HG3' ' H ' ' A' 1554 ' ' ASN . 7.3 tp10 -124.38 177.61 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1554 ' ' ASN . . . . . 0.618 ' H ' ' HG3' ' A' 1553 ' ' GLU . 5.5 p30 -49.53 -45.61 47.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.358 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.439 HG23 ' OD1' ' A' 1554 ' ' ASN . 54.8 t -129.92 -53.05 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 111.19 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -72.35 162.05 30.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.3 t -138.61 106.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.854 ' HB2' ' HB ' ' A' 1551 ' ' THR . 11.5 mptt -79.23 149.16 31.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.596 ' HE2' ' HB3' ' A' 1584 ' ' LYS . 86.2 m-85 -131.1 114.48 15.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.02 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.744 ' HB2' ' HB3' ' A' 1549 ' ' SER . 14.1 mmmm -99.92 109.64 22.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.369 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -125.08 157.9 35.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.0 0.429 . . . . 0.0 111.449 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -105.99 134.32 49.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.018 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.759 ' HA ' HG12 ' A' 1545 ' ' VAL . 5.9 tt -66.11 143.05 57.55 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.572 ' N ' HD23 ' A' 1563 ' ' LEU . 7.5 mp -101.4 -48.65 4.29 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.646 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.483 ' N ' HD23 ' A' 1563 ' ' LEU . 15.5 t70 -166.54 134.11 2.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.512 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.743 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 69.1 mt -91.56 128.25 43.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.095 0.474 . . . . 0.0 112.108 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.706 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 69.8 m-85 -109.12 -15.17 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.187 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.612 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 28.4 tptp -153.47 120.13 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.69 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1569 ' ' THR . . . . . 0.487 HG22 ' H ' ' A' 1571 ' ' GLU . 4.0 m -48.61 157.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.048 0.451 . . . . 0.0 111.829 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.865 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -99.79 3.83 57.55 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.867 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' 1570 ' ' GLY . 44.4 mt-10 74.5 -43.84 0.54 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.474 0.31 . . . . 0.0 110.969 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -87.4 46.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 0.0 110.23 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 81.5 t 59.51 85.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.059 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.577 ' HB1' HD13 ' A' 1566 ' ' ILE . . . -90.62 139.82 30.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.428 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' 1578 ' ' SER . 40.9 mt-10 -131.28 142.46 50.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.805 0.336 . . . . 0.0 111.384 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 60.6 mttp -58.4 139.51 55.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.089 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.744 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.7 p30 46.55 34.48 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.339 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 57.2 p -68.14 -166.99 0.07 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.739 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -115.29 109.2 17.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.588 ' HB ' ' HE2' ' A' 1619 ' ' TYR . 37.6 pt -110.03 139.97 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.618 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 76.7 m -132.47 113.8 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.978 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.752 ' HB3' ' HB2' ' A' 1619 ' ' TYR . 1.7 p90 -123.5 131.86 53.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.754 HG22 ' HG3' ' A' 1558 ' ' LYS . 32.1 pt -100.04 163.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.24 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.841 ' HB2' HD23 ' A' 1621 ' ' LEU . 39.8 ttpt -153.5 140.79 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -79.44 158.03 27.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.8 p -72.86 -11.56 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 81.7 p -69.48 -34.86 74.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.8 m -60.12 111.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.697 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 87.1 m -97.94 -42.78 7.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.48 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 12.5 m120 -70.07 -3.84 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.231 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -108.55 119.17 38.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.073 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -141.4 109.02 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 91.5 mt -97.23 149.02 22.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.673 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 59.8 t -123.53 139.98 48.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.3 tttm -79.93 115.45 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 112.85 -8.45 25.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.773 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.673 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 84.8 mtt180 -92.51 176.1 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 111.41 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -122.41 132.54 54.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -134.26 148.24 50.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.015 0.436 . . . . 0.0 111.364 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' 1543 ' ' TYR . 58.3 tp -97.77 123.9 41.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.019 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.563 HG22 ' HE1' ' A' 1541 ' ' TYR . 63.0 mt -112.67 125.31 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.132 0.492 . . . . 0.0 111.918 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.405 ' O ' ' HB3' ' A' 1626 ' ' TRP . 77.0 mtp -142.61 107.39 4.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.2 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.866 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.54 -168.12 37.36 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.14 -1.029 . . . . 0.0 113.42 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.471 ' HE2' ' HA ' ' A' 1538 ' ' GLU . 71.7 mmtt -50.56 162.03 0.28 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.905 0.383 . . . . 0.0 111.465 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.456 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 12.0 pt-20 -78.15 -172.75 2.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.024 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' 1619 ' ' TYR . . . -84.82 -172.21 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 91.1 mt -121.66 129.66 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.472 ' HG2' ' HE1' ' A' 1617 ' ' TYR . 42.0 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.472 ' HE1' ' HG2' ' A' 1608 ' ' GLN . 14.8 m-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.806 0.336 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 26.6 pt -124.33 130.67 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.752 ' HB2' ' HB3' ' A' 1582 ' ' PHE . 9.6 m-85 -79.06 133.43 61.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.014 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.41 -24.85 11.8 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.64 2.226 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.841 HD23 ' HB2' ' A' 1584 ' ' LYS . 48.9 tp 51.5 82.29 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.77 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 18.7 t70 -97.37 -78.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.452 ' HA ' ' H ' ' A' 1515 ' ' GLY . 80.7 p -162.88 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.408 ' H ' ' H ' ' A' 1623 ' ' SER . 1.7 pp -71.89 -27.82 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.627 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.493 ' O ' HG13 ' A' 1627 ' ' ILE . 61.6 m -57.73 99.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.405 ' HB3' ' O ' ' A' 1602 ' ' MET . 60.8 t-105 -60.93 108.24 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.829 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' 1625 ' ' THR . 71.4 mt -110.97 123.48 66.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -137.17 112.77 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.452 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 67.3 t80 -55.57 139.16 45.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.414 ' HA ' ' HD2' ' A' 1631 ' ' PRO . 5.2 t-105 -103.52 98.56 12.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.566 ' HG2' HD21 ' A' 1643 ' ' LEU . 11.3 Cg_endo -54.79 127.76 27.54 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.832 2.355 . . . . 0.0 112.334 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -111.8 17.34 19.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.223 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -113.81 143.68 44.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.079 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.714 HG22 ' HA ' ' A' 1640 ' ' GLN . 25.0 p . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.793 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.714 ' HA ' HG22 ' A' 1634 ' ' THR . 62.5 tt0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.13 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.411 ' HA ' HD21 ' A' 1523 ' ' LEU . 79.0 t80 -73.56 -36.43 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.566 HD21 ' HG2' ' A' 1631 ' ' PRO . 41.6 mt -70.44 -29.21 65.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -65.35 -23.86 67.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.588 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.05 -19.97 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.496 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.452 HD12 HD23 ' A' 1643 ' ' LEU . 98.5 mt -82.05 -29.97 31.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.57 -29.38 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.524 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.14 -18.9 65.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.574 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.534 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 64.7 t80 -101.2 -26.69 13.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.678 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -73.86 0.4 13.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.367 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -131.97 -24.77 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' 1656 ' ' ASN . 15.0 t70 -77.48 -30.06 52.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.061 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.588 HG21 ' HD2' ' A' 1567 ' ' TYR . 8.9 tp -67.95 -22.9 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.024 0.44 . . . . 0.0 110.691 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 20.9 t80 -100.76 -39.09 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' 1655 ' ' LEU . 0.6 OUTLIER -72.54 -52.01 17.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.362 -179.405 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' 1652 ' ' ASP . 2.7 m-20 -86.92 -67.3 0.83 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.056 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 79.82 164.48 29.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.94 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.798 0.333 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.741 ' HB2' ' HA ' ' A' 1622 ' ' ASP . 0.1 OUTLIER -94.26 89.55 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.765 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.4 ' N ' ' HA ' ' A' 1623 ' ' SER . . . 138.39 -53.51 0.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.33 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 53.99 91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.776 0.322 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 78.6 mtp -62.45 136.33 57.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.776 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.35 167.38 19.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 45.9 mt-10 -62.45 159.25 15.9 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.56 -76.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.805 ' HG ' ' HB2' ' A' 1642 ' ' PHE . 4.9 mp -97.49 57.16 1.37 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.643 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 12.7 t70 -70.6 87.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.028 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' 1521 ' ' LEU . 6.0 mt -88.99 22.42 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.179 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 77.2 p -94.63 -22.26 18.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.251 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.467 HG13 ' OD1' ' A' 1522 ' ' ASP . 92.9 mt -84.7 137.17 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 54.7 m -82.81 -173.71 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.801 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -99.34 1.23 44.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -123.04 -2.9 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 67.8 m -82.38 -47.98 11.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.066 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -95.11 -8.28 36.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.411 ' HG3' ' HE1' ' A' 1649 ' ' PHE . 54.9 tttm -64.87 -40.28 94.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -59.18 -17.09 24.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.578 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.64 ' HA ' ' HB2' ' A' 1536 ' ' LYS . 59.7 m -82.39 -33.65 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.837 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -61.53 -23.18 65.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.0 t -121.99 5.42 9.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.76 ' HB3' HD13 ' A' 1539 ' ' ILE . 39.6 ttmt -59.32 140.84 87.91 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.669 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.42 -32.1 71.35 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.596 2.197 . . . . 0.0 112.311 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.525 ' O ' ' HE2' ' A' 1604 ' ' LYS . 36.9 tt0 -74.67 -22.6 58.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.904 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.1 mp -101.79 122.65 54.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.492 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -84.51 -55.69 4.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.431 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.515 ' HE1' HG22 ' A' 1601 ' ' ILE . 6.6 p90 -112.78 158.33 20.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.309 0.576 . . . . 0.0 112.07 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.97 96.82 2.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.493 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.653 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 0.3 OUTLIER -146.6 -175.16 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 112.355 -178.627 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.503 ' HG2' HD12 ' A' 1564 ' ' LEU . 31.9 ttpt -118.26 126.7 52.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.708 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.777 HG12 ' HA ' ' A' 1563 ' ' LEU . 22.4 m -121.43 -174.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.26 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.662 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.9 t -156.06 114.63 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.624 HD13 ' HB2' ' A' 1561 ' ' ALA . 40.5 mm -59.62 143.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 4.0 t -148.62 -7.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.479 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.844 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 57.4 m -154.11 134.15 13.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' 1595 ' ' LYS . 73.6 mt -132.38 136.51 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 62.8 m -148.3 130.12 15.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.737 HG23 HG22 ' A' 1557 ' ' VAL . 7.6 p -109.34 141.08 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -103.03 -74.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -144.82 -77.01 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 31.6 t -93.42 -49.64 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -94.57 141.8 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.605 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.737 HG22 HG23 ' A' 1552 ' ' VAL . 41.1 t -110.11 128.32 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.234 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.461 ' HE2' HD12 ' A' 1583 ' ' ILE . 35.2 mmtp -90.26 143.96 26.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.41 ' HD1' HG12 ' A' 1550 ' ' ILE . 90.3 m-85 -132.18 102.63 5.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.296 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.844 ' HB2' ' HB2' ' A' 1549 ' ' SER . 35.1 mmtp -79.29 116.73 19.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.233 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.624 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -129.15 167.14 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.087 0.47 . . . . 0.0 111.651 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 20.5 m -116.07 123.4 47.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.735 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.786 HD21 HG12 ' A' 1566 ' ' ILE . 13.0 tp -68.26 98.77 0.84 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.535 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' 1546 ' ' SER . 87.1 mt -54.67 -61.36 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.319 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' 1543 ' ' TYR . 7.4 m-20 -145.03 165.73 27.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.654 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.786 HG12 HD21 ' A' 1563 ' ' LEU . 55.6 mt -118.3 134.49 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.959 0.409 . . . . 0.0 111.936 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.653 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -113.23 -18.77 12.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 6.9 tmtm? -156.59 110.32 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.5 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 24.6 m -43.3 148.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.175 0.512 . . . . 0.0 112.1 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.85 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -105.46 131.64 10.74 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.475 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.31 -26.82 68.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 110.573 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.822 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.14 42.73 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.473 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 80.4 t 58.9 88.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.428 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.85 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -116.94 120.71 39.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.25 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.581 ' HB3' ' HB3' ' A' 1578 ' ' SER . 9.7 tp10 -129.25 151.22 50.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.002 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.68 134.85 55.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.592 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.0 p30 46.0 36.73 3.18 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.394 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.581 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 76.8 p -80.18 -166.47 1.05 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.844 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.36 114.15 18.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.008 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.542 HD13 ' HE1' ' A' 1582 ' ' PHE . 1.7 pp -129.51 161.15 39.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.51 . . . . 0.0 111.939 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.4 m -127.91 130.21 48.12 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.542 ' HE1' HD13 ' A' 1580 ' ' ILE . 51.7 m-85 -112.94 116.7 30.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.502 HG23 ' HA ' ' A' 1620 ' ' PRO . 6.2 tt -94.04 107.82 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.233 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.695 ' HB2' HD12 ' A' 1621 ' ' LEU . 34.5 ttpt -92.45 153.15 19.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.426 ' N ' ' HG2' ' A' 1584 ' ' LYS . 67.5 mttm -89.39 149.56 22.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.5 p -79.79 -12.72 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 76.2 p -69.77 -32.79 71.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.5 m -56.2 106.57 0.29 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.771 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 9.7 t -87.48 12.65 11.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.469 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -138.33 -40.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -65.01 110.11 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.153 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -142.92 101.74 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.89 166.92 18.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 93.9 t -130.34 132.0 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.418 ' HB2' HD12 ' A' 1550 ' ' ILE . 40.1 ttpt -72.26 131.56 42.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 76.4 52.05 6.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.531 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 40.3 ttm180 -155.59 149.31 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.619 ' HG2' HD11 ' A' 1564 ' ' LEU . 95.1 mt-30 -89.23 141.36 28.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.288 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.531 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 81.9 m-85 -142.82 164.33 30.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 61.6 tp -111.73 122.63 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.256 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.515 HG22 ' HE1' ' A' 1541 ' ' TYR . 74.4 mt -118.12 130.25 73.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 111.721 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.436 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 59.0 mtp -145.38 106.87 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.169 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.904 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -173.99 -178.29 43.8 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.396 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' A' 1538 ' ' GLU . 17.8 tppt? -61.14 161.75 8.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 111.022 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.822 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.1 pt-20 -67.46 -170.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.051 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.535 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -94.56 176.99 6.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' 1607 ' ' LEU . 6.9 mp -109.09 96.54 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.574 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.5 HE21 ' HE2' ' A' 1617 ' ' TYR . 81.8 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.5 ' HE2' HE21 ' A' 1608 ' ' GLN . 37.3 m-85 . . . . . 0 CA--C 1.523 -0.06 0 CA-C-O 120.764 0.316 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 17.9 pt 35.58 98.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.435 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.535 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 18.7 m-85 -61.19 119.72 48.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.953 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1620 ' ' PRO . . . . . 0.502 ' HA ' HG23 ' A' 1583 ' ' ILE . 73.6 Cg_endo -74.49 123.66 8.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.505 2.137 . . . . 0.0 112.186 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.695 HD12 ' HB2' ' A' 1584 ' ' LYS . 96.2 mt -89.38 107.79 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.741 ' HA ' ' HB2' ' A' 1514 ' ' CYS . 9.3 p-10 -129.73 -160.99 1.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.4 ' HA ' ' N ' ' A' 1515 ' ' GLY . 78.0 p -76.4 7.63 4.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.696 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.477 ' HB3' ' OD2' ' A' 1622 ' ' ASP . 0.2 OUTLIER -105.2 -31.46 9.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.347 . . . . 0.0 110.636 179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 61.8 m -68.9 109.89 4.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.436 ' HB3' ' HB2' ' A' 1602 ' ' MET . 58.0 t-105 -71.26 114.9 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.4 mt -117.84 133.82 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.623 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -141.4 119.31 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.98 128.07 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.231 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -102.86 102.32 26.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.122 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.713 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 71.6 Cg_exo -48.31 98.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.601 2.201 . . . . 0.0 112.604 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -76.01 -13.04 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.71 134.47 34.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.407 ' HB ' ' CD1' ' A' 1643 ' ' LEU . 4.4 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.774 0.321 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.39 82.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.585 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.805 ' HB2' ' HG ' ' A' 1521 ' ' LEU . 47.8 t80 -91.2 -45.26 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.426 HD21 ' O ' ' A' 1631 ' ' PRO . 74.9 mt -53.32 -44.85 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.112 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -56.28 -54.79 41.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.946 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.23 -12.47 61.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 0.0 110.365 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 56.1 tp -90.36 -22.17 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.819 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1647 ' ' ASP . . . . . 0.473 ' HA ' ' HB3' ' A' 1650 ' ' ALA . 53.8 m-20 -67.8 -34.81 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.673 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.54 -23.93 53.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.502 ' O ' HG22 ' A' 1653 ' ' ILE . 86.1 t80 -109.54 -23.29 11.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.665 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1650 ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' A' 1647 ' ' ASP . . . -67.71 -33.81 75.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.24 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -101.17 -10.38 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.982 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.56 -69.3 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' 1649 ' ' PHE . 8.8 tp -58.9 -23.51 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 65.8 t80 -75.41 -53.19 9.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 5.7 tt -83.18 -65.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.529 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 13.8 m120 -58.6 -65.93 0.58 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 86.13 -179.0 49.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.853 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.535 0.207 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' 1591 ' ' ALA . 13.8 t -51.11 107.91 0.21 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.902 0.382 . . . . 0.0 110.318 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 98.69 -45.41 1.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.664 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 51.69 94.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.411 -0.395 . . . . 0.0 111.336 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 26.5 mmt -85.82 132.86 34.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -81.86 162.79 22.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' 1522 ' ' ASP . 15.9 mm-40 -70.32 -178.42 1.7 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.55 130.5 56.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 97.0 mt 58.91 20.2 7.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' 1519 ' ' GLU . 5.6 p-10 -61.35 109.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.774 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 87.4 mt -87.93 99.23 11.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 5.4 t -171.01 -38.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.482 HD12 ' HE ' ' A' 1530 ' ' ARG . 4.9 pt -91.43 133.4 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.2 p -91.99 -177.28 4.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -76.71 -9.22 58.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.5 mt-10 -93.56 -34.65 13.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 33.4 m -61.76 -21.29 64.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.482 ' HE ' HD12 ' A' 1525 ' ' ILE . 56.5 mtt180 -95.57 -37.71 10.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.043 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.529 ' HE2' HD13 ' A' 1653 ' ' ILE . 25.6 tptp -67.38 -39.42 85.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' 1528 ' ' GLU . 50.2 mt-30 -57.02 -17.67 10.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.972 0.415 . . . . 0.0 110.553 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.849 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 87.2 m -90.51 -39.76 12.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.723 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.99 86.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.29 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1535 ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 41.2 t -64.54 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.047 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.849 ' HE3' ' HA ' ' A' 1533 ' ' THR . 10.3 mtmp? -66.23 149.51 97.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.25 -22.0 54.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.487 2.125 . . . . 0.0 112.183 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.88 -26.63 68.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.794 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.639 HG13 HG22 ' A' 1533 ' ' THR . 26.3 mm -101.55 96.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -70.75 -48.63 53.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.608 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.3 p90 -122.1 155.78 34.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.162 0.506 . . . . 0.0 111.415 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.539 ' N ' ' HB3' ' A' 1568 ' ' LYS . . . -145.74 98.7 3.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.918 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.637 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.6 p90 -146.82 176.54 9.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.441 . . . . 0.0 111.646 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.499 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 12.2 ptmm? -118.2 147.48 43.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.051 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.826 HG12 ' HA ' ' A' 1563 ' ' LEU . 8.5 m -140.0 -178.81 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.061 0.458 . . . . 0.0 111.724 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.436 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.7 t -143.21 116.81 9.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.566 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 35.3 mm -60.04 142.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 65.9 p -126.8 -37.22 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.465 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 73.3 m -147.1 154.35 41.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.036 0.446 . . . . 0.0 111.369 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.2 mt -130.54 106.21 12.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.775 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 59.6 m -98.48 145.67 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 10.9 p -140.02 140.71 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.82 -74.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -144.97 -57.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 84.8 t -112.82 -59.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -74.5 122.95 23.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.5 t -98.71 121.57 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.493 ' NZ ' HD12 ' A' 1583 ' ' ILE . 75.5 mmtt -90.61 153.25 20.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.762 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 97.6 m-85 -137.53 103.03 4.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.773 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -82.82 109.8 17.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.53 161.95 31.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.399 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.4 m -108.62 131.15 55.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.826 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.9 tp -70.11 105.66 2.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.212 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.643 ' H ' ' HA ' ' A' 1545 ' ' VAL . 84.0 mt -59.12 -61.39 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 111.246 -179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.606 ' O ' ' HB2' ' A' 1543 ' ' TYR . 9.2 m-20 -151.87 159.76 43.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.723 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.637 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 42.5 mt -112.59 134.88 53.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 120.987 0.422 . . . . 0.0 111.925 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.51 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 44.8 m-85 -113.29 -22.75 10.28 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.539 ' HB3' ' N ' ' A' 1542 ' ' ALA . 20.3 ttmm -144.62 109.64 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.517 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 52.2 m -46.49 143.9 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.067 0.46 . . . . 0.0 111.861 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.846 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -96.77 125.68 8.55 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.452 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -58.05 -25.0 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.563 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -92.3 42.05 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.476 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 76.4 t 60.35 95.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.447 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.846 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -126.21 128.16 46.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.461 ' HB2' ' OG ' ' A' 1578 ' ' SER . 45.4 mt-10 -133.51 153.03 51.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.033 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 61.8 tttm -57.32 123.33 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.638 ' HA ' ' O ' ' A' 1563 ' ' LEU . 21.4 t70 62.05 59.17 1.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.631 ' H ' ' HB3' ' A' 1563 ' ' LEU . 72.6 m -106.57 -179.43 3.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.498 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -103.28 129.49 50.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.591 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.464 HG22 ' CE1' ' A' 1619 ' ' TYR . 9.2 pt -135.72 144.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.403 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 23.2 m -124.08 106.93 10.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.762 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 56.0 m-85 -80.49 128.03 33.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.017 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.81 HG23 ' HA ' ' A' 1620 ' ' PRO . 3.5 tt -111.46 111.0 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.758 ' HB2' HD12 ' A' 1621 ' ' LEU . 1.5 tmmt? -115.26 126.24 54.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.858 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 66.9 mttm -68.2 141.62 55.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.5 p -58.69 -18.16 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.7 p -69.45 -34.84 75.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.736 ' HB2' ' HD3' ' A' 1584 ' ' LYS . 3.7 m -58.92 105.65 0.34 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 91.2 m -84.03 -41.51 17.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.376 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -81.93 19.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.209 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' 1514 ' ' CYS . . . -125.93 113.04 16.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -152.83 100.92 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.81 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' 1593 ' ' LEU . 4.2 mp -92.02 155.24 18.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.428 HG13 ' HD3' ' A' 1597 ' ' ARG . 6.0 p -138.17 137.4 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.465 ' HA ' ' HB ' ' A' 1547 ' ' ILE . 21.6 ptmt -68.05 156.33 37.6 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 89.56 -1.02 81.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.696 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.428 ' HD3' HG13 ' A' 1594 ' ' VAL . 27.5 mtp180 -122.27 165.35 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 111.263 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.427 ' HG3' ' HD2' ' A' 1632 ' ' ARG . 75.7 mt-30 -112.98 145.45 40.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.989 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -139.96 150.64 44.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.916 0.389 . . . . 0.0 111.468 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' 1543 ' ' TYR . 58.6 tp -98.86 131.26 45.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.125 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' 1601 ' ' ILE . 3.7 mp -118.72 132.93 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.075 0.464 . . . . 0.0 111.919 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.518 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 74.4 mtp -147.55 111.24 5.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.127 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.572 ' N ' HG23 ' A' 1539 ' ' ILE . . . 177.44 -171.71 44.45 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 119.772 -1.204 . . . . 0.0 113.781 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -51.6 156.73 1.26 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.862 0.363 . . . . 0.0 111.383 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.516 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.0 pt-20 -65.39 162.69 17.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.848 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.499 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -64.81 148.21 51.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.6 -173.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.689 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' 1617 ' ' TYR . 21.3 tt0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.527 ' CE1' ' HG3' ' A' 1608 ' ' GLN . 2.6 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.452 ' O ' ' HB1' ' A' 1606 ' ' ALA . 36.1 pt -117.7 161.34 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.225 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 13.8 m-85 -110.9 109.54 57.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1620 ' ' PRO . . . . . 0.81 ' HA ' HG23 ' A' 1583 ' ' ILE . 65.1 Cg_endo -72.35 178.94 5.52 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' 1584 ' ' LYS . 96.3 mt -143.34 97.79 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.774 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.833 ' HB2' HD12 ' A' 1624 ' ' LEU . 12.0 m-20 -120.87 -162.86 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.6 p -80.69 3.71 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.673 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.833 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -103.55 -11.87 17.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.63 ' N ' HD13 ' A' 1624 ' ' LEU . 68.6 m -85.94 134.18 33.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.518 ' HB3' ' HB2' ' A' 1602 ' ' MET . 68.4 t-105 -98.56 113.99 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.799 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.654 HD11 HD22 ' A' 1621 ' ' LEU . 70.4 mt -122.29 111.6 31.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.01 115.4 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.564 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.466 ' O ' ' HD3' ' A' 1631 ' ' PRO . 91.1 t80 -53.63 136.56 38.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.182 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -102.3 100.67 16.21 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.283 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.526 ' HB2' HD11 ' A' 1643 ' ' LEU . 77.6 Cg_exo -48.27 121.68 6.5 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.687 2.258 . . . . 0.0 112.427 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.427 ' HD2' ' HG3' ' A' 1598 ' ' GLN . 80.2 mtp180 -95.44 21.86 7.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.172 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -124.55 131.29 53.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 111.214 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.497 HG22 HD12 ' A' 1643 ' ' LEU . 69.8 p . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.937 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.432 ' OE1' ' HB ' ' A' 1634 ' ' THR . 28.8 mt-30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.839 0.352 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -64.42 -22.31 66.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.028 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 68.7 t80 -98.08 -30.45 12.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' 1631 ' ' PRO . 92.7 mt -88.93 8.8 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -90.62 -28.98 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.634 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -82.18 -34.44 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.537 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.435 HD12 HD23 ' A' 1643 ' ' LEU . 96.8 mt -62.8 -32.05 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.43 -44.78 95.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.465 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.63 -38.82 80.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.498 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.435 ' O ' HG22 ' A' 1653 ' ' ILE . 85.4 t80 -63.7 -29.41 70.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.655 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.22 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -70.07 -15.99 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.115 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.559 ' CG ' HD22 ' A' 1656 ' ' ASN . 11.9 t70 -65.11 -71.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.796 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.554 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 4.9 tp -60.05 -30.67 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.12 -34.59 78.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.6 tt -109.36 -77.42 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.018 0.437 . . . . 0.0 110.967 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.559 HD22 ' CG ' ' A' 1652 ' ' ASP . 4.8 p-10 -81.48 37.75 0.47 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.322 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.554 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -56.27 118.1 10.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.573 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1658 ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 42.7 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.728 ' HB2' ' HG2' ' A' 1516 ' ' GLN . 3.9 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.111 0.481 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.778 ' H ' ' H ' ' A' 1589 ' ' THR . 3.9 m -81.47 -18.04 46.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.007 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.447 ' H ' ' HA ' ' A' 1589 ' ' THR . . . -124.37 -42.83 0.34 Allowed Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.388 -0.824 . . . . 0.0 113.202 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.922 ' H ' ' HA ' ' A' 1589 ' ' THR . 47.7 mt-30 66.72 153.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.915 0.388 . . . . 0.0 111.095 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 9.2 mmt -73.21 -176.72 2.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.034 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -108.25 170.54 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.63 132.21 51.59 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.98 116.1 28.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 93.0 mt 59.48 97.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 9.9 t70 -160.34 112.2 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.683 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.05 99.69 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1524 ' ' THR . . . . . 0.479 HG23 HG13 ' A' 1525 ' ' ILE . 9.0 t -175.07 -29.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.009 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.479 HG13 HG23 ' A' 1524 ' ' THR . 59.6 mt -89.05 106.5 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.03 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 50.7 m -76.35 -178.92 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.71 -26.21 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.2 mt-10 -94.09 -22.62 18.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.5 m -57.69 -59.87 4.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.601 HH12 ' HG2' ' A' 1628 ' ' GLU . 16.5 ptp180 -71.19 -24.43 62.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.586 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 23.9 tptm -63.73 -24.83 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.785 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.5 mm-40 -55.49 -24.8 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.297 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.687 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 94.8 m -83.14 -41.35 18.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.809 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.586 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -69.66 -15.09 63.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 1.7 m -87.29 -19.7 27.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.687 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.0 mtmt -63.43 145.27 97.3 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.29 -1.49 9.72 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.612 2.208 . . . . 0.0 112.381 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' 1604 ' ' LYS . 11.4 pt-20 -87.35 -36.98 17.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.645 HD12 ' HA2' ' A' 1603 ' ' GLY . 43.6 mm -78.85 124.36 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -92.81 -64.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.593 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.46 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 2.1 p90 -100.08 163.48 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.294 0.569 . . . . 0.0 112.044 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.83 97.6 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.725 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.559 ' HA ' ' HD1' ' A' 1567 ' ' TYR . 7.1 p90 -142.08 178.71 7.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.064 0.459 . . . . 0.0 111.751 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -124.18 124.84 43.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.163 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.778 HG12 ' HA ' ' A' 1563 ' ' LEU . 8.9 m -119.27 -174.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.0 0.429 . . . . 0.0 111.729 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.451 ' CB ' HD11 ' A' 1564 ' ' LEU . 16.1 t -144.84 125.95 14.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.558 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.499 HG13 ' HB3' ' A' 1593 ' ' LEU . 42.4 mm -64.38 148.29 11.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 73.6 p -135.31 -50.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.56 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.815 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 33.6 t -127.85 165.55 19.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.989 0.423 . . . . 0.0 111.329 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.8 mt -132.24 131.44 60.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 68.4 m -119.61 126.81 52.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.301 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.677 HG23 HG22 ' A' 1557 ' ' VAL . 9.6 p -139.33 138.86 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.33 -71.23 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.003 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1554 ' ' ASN . . . . . 0.421 ' OD1' HG23 ' A' 1555 ' ' VAL . 5.4 p30 -149.6 -52.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.421 HG23 ' OD1' ' A' 1554 ' ' ASN . 91.4 t -118.05 -55.38 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -77.07 113.46 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.677 HG22 HG23 ' A' 1552 ' ' VAL . 59.4 t -108.98 110.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.539 ' HG3' ' HB ' ' A' 1583 ' ' ILE . 3.8 mppt? -97.59 166.27 11.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -140.52 122.18 15.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.815 ' HB3' ' HB3' ' A' 1549 ' ' SER . 16.4 tppt? -84.8 135.35 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -159.17 163.98 35.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 111.389 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.7 m -117.06 131.99 56.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.957 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.778 ' HA ' HG12 ' A' 1545 ' ' VAL . 14.6 tp -69.54 136.75 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' 1563 ' ' LEU . 9.9 mp -93.44 -51.33 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.648 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.526 ' O ' HD11 ' A' 1563 ' ' LEU . 8.5 m-20 -148.67 153.56 38.44 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.537 HD13 ' HB3' ' A' 1543 ' ' TYR . 9.9 mm -105.98 117.73 52.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.581 ' HB3' HG21 ' A' 1653 ' ' ILE . 55.0 m-85 -97.94 -19.63 17.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.308 0.575 . . . . 0.0 109.706 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.446 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 9.7 tmtt? -155.03 109.92 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.389 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 30.0 m -44.35 142.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.156 0.503 . . . . 0.0 112.034 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.737 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -106.18 148.91 16.55 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.291 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 13.7 mm-40 -75.05 -0.3 18.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.403 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -114.35 67.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.833 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' 1573 ' ' VAL . 8.0 p 39.42 41.43 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.654 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.737 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -74.48 129.34 37.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.974 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.589 ' O ' HD23 ' A' 1563 ' ' LEU . 9.8 tp10 -151.1 147.06 26.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.546 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -55.39 131.85 46.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.643 ' HA ' ' O ' ' A' 1563 ' ' LEU . 15.3 t70 65.53 34.76 7.67 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.421 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.544 ' OG ' ' HB3' ' A' 1575 ' ' GLU . 34.1 m -92.61 -176.5 4.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.483 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.68 137.14 37.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.63 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.403 ' CG1' ' N ' ' A' 1581 ' ' THR . 0.9 OUTLIER -143.33 153.75 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.164 0.507 . . . . 0.0 111.411 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1581 ' ' THR . . . . . 0.403 ' N ' ' CG1' ' A' 1580 ' ' ILE . 61.5 m -152.74 118.61 5.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.924 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.421 ' HZ ' HG13 ' A' 1601 ' ' ILE . 89.8 m-85 -80.59 167.41 20.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.638 HG23 ' HA ' ' A' 1620 ' ' PRO . 5.0 tt -158.11 117.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.795 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.74 ' HE3' ' HA ' ' A' 1586 ' ' VAL . 39.3 ttpt -120.9 153.72 36.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.219 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.476 ' O ' HG12 ' A' 1586 ' ' VAL . 97.3 mttt -92.97 20.57 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.507 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.74 ' HA ' ' HE3' ' A' 1584 ' ' LYS . 6.7 p 44.14 24.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.764 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 63.8 p -139.07 -3.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.338 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 1.2 m -133.53 141.71 47.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.959 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1589 ' ' THR . . . . . 0.922 ' HA ' ' H ' ' A' 1516 ' ' GLN . 73.8 m 50.34 93.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.614 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.708 ' HB2' ' HB3' ' A' 1513 ' ' ASP . 26.8 t30 -61.92 85.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.282 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.634 ' HB3' HD21 ' A' 1621 ' ' LEU . . . -113.92 137.19 52.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.42 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -127.7 98.24 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.564 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.499 ' HB3' HG13 ' A' 1547 ' ' ILE . 85.0 mt -84.28 122.84 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 61.9 t -107.04 126.21 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 21.8 pttp -62.99 135.56 57.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 102.9 -18.52 49.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.628 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.5 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 91.2 mtt180 -99.65 169.96 8.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.004 0.431 . . . . 0.0 111.401 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -116.53 143.16 45.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.718 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -139.9 152.79 46.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.907 0.384 . . . . 0.0 111.214 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 61.3 tp -94.56 135.1 36.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.257 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.421 HG13 ' HZ ' ' A' 1582 ' ' PHE . 49.5 mm -128.89 124.87 61.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.961 0.41 . . . . 0.0 111.886 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1602 ' ' MET . . . . . . . . . . . . . 31.8 mtm -141.38 117.98 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.109 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.645 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -170.72 177.12 43.97 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.272 -0.966 . . . . 0.0 113.142 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.463 ' C ' ' HD2' ' A' 1604 ' ' LYS . 0.0 OUTLIER -59.37 177.22 0.2 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.863 0.364 . . . . 0.0 111.489 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.471 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.3 pt-20 -60.15 173.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.432 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -103.18 155.84 18.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.244 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' 1617 ' ' TYR . 4.1 mm? -65.35 113.75 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.509 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 45.5 mt-30 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.443 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.582 ' HA ' ' O ' ' A' 1607 ' ' LEU . 1.9 m-30 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.57 0.224 . . . . 0.0 111.558 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 5.6 pt -56.82 145.05 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 111.145 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 20.3 m-85 -97.75 125.89 42.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.719 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1620 ' ' PRO . . . . . 0.638 ' HA ' HG23 ' A' 1583 ' ' ILE . 28.3 Cg_endo -62.24 -168.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.571 2.18 . . . . 0.0 112.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.67 HD23 ' HD3' ' A' 1584 ' ' LYS . 16.4 tp -153.48 40.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -92.66 -172.38 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.465 ' HB2' ' C ' ' A' 1514 ' ' CYS . 48.2 t -69.98 77.09 0.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.216 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 62.8 tp -175.24 -26.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.359 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 46.5 m -78.81 101.41 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.154 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -66.88 112.77 4.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' 1600 ' ' LEU . 57.7 mt -119.83 135.03 61.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.676 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 10.4 tp10 -132.35 111.94 11.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.5 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 24.6 t80 -57.17 114.73 2.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -100.42 103.36 23.08 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.094 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.514 ' HB2' HD21 ' A' 1643 ' ' LEU . 80.4 Cg_exo -45.29 102.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.674 2.249 . . . . 0.0 112.59 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' 1632 ' ' ARG . 4.4 tmt_? -53.66 -42.17 67.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -89.27 110.7 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.756 HG22 HD13 ' A' 1643 ' ' LEU . 63.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.602 ' HA ' HD12 ' A' 1643 ' ' LEU . 28.2 mt-30 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.33 94.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.967 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -84.93 -23.01 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.532 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.756 HD13 HG22 ' A' 1634 ' ' THR . 47.8 mt -73.89 -11.73 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -80.45 -32.99 37.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.021 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.05 -25.31 55.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 85.8 mt -74.87 -31.34 61.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.5 -30.89 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.5 -47.65 69.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.765 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.435 ' O ' HG22 ' A' 1653 ' ' ILE . 81.6 t80 -55.55 -28.25 53.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.787 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.46 92.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -87.33 -7.24 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.023 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.59 -71.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.042 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.581 HG21 ' HB3' ' A' 1567 ' ' TYR . 8.9 tp -53.98 -25.66 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.189 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 76.8 t80 -78.84 -57.13 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.443 ' C ' HD13 ' A' 1655 ' ' LEU . 3.2 tm? -84.01 -65.84 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 17.1 m120 -58.18 -74.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.217 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 87.36 -168.17 38.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.413 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.888 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.54 0.209 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' 1516 ' ' GLN . 7.4 t 60.13 -152.63 0.39 Allowed 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.48 ' O ' ' HG2' ' A' 1517 ' ' MET . . . -55.8 83.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.774 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' 1514 ' ' CYS . 95.8 mt-30 -47.74 -25.21 1.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.368 0.267 . . . . 0.0 111.541 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' 1515 ' ' GLY . 22.8 mmt 59.05 -174.23 0.1 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.077 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1518 ' ' GLN . . . . . 0.427 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 11.8 pt20 -151.56 173.36 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.9 144.33 53.19 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.992 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.43 -16.77 64.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 68.5 mt -149.7 102.46 3.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.487 ' OD1' HG13 ' A' 1525 ' ' ILE . 11.2 t70 -129.47 122.63 29.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.672 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 42.2 mt -109.57 14.14 23.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.028 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 70.0 p -92.45 -20.06 21.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.487 HG13 ' OD1' ' A' 1522 ' ' ASP . 85.6 mt -83.87 138.18 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 43.9 t -85.67 169.45 13.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -75.8 -16.22 60.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -93.32 -19.64 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.2 m -74.41 -30.02 61.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.598 HH12 ' HA ' ' A' 1646 ' ' LEU . 4.7 ptm180 -95.08 -12.99 25.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.536 ' HD3' ' O ' ' A' 1531 ' ' LYS . 1.2 tmtp? -97.05 -33.36 11.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.806 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -59.64 -16.73 28.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.974 0.416 . . . . 0.0 110.476 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.697 HG22 HG13 ' A' 1539 ' ' ILE . 48.4 m -91.34 -23.27 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.55 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.07 91.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.14 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 48.9 t -85.25 0.55 51.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.982 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.487 ' HE3' ' HA ' ' A' 1533 ' ' THR . 40.6 ttmt -61.82 133.73 93.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1537 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 51.5 Cg_exo -54.48 -43.25 60.53 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.583 2.188 . . . . 0.0 112.214 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.687 ' HG3' ' HE3' ' A' 1604 ' ' LYS . 35.3 tt0 -61.0 -27.67 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.75 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.697 HG13 HG22 ' A' 1533 ' ' THR . 37.2 mm -93.52 110.52 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.037 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -74.47 -64.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.415 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.884 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.1 p90 -105.32 156.62 17.98 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.163 0.506 . . . . 0.0 111.74 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.12 97.67 3.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.326 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.761 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 11.6 p90 -153.78 173.66 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 111.858 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.672 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 21.3 pttp -110.81 150.75 28.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.894 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.848 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.7 m -141.46 -175.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.906 0.384 . . . . 0.0 111.599 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.416 ' HB3' HD11 ' A' 1564 ' ' LEU . 78.9 p -145.98 114.91 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.982 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.507 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.3 mm -56.09 144.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.698 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1548 ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' 1561 ' ' ALA . 4.8 t -138.14 -8.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.625 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.868 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 36.8 t -165.24 157.09 15.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.985 0.421 . . . . 0.0 111.426 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.6 mt -137.78 133.86 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.671 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1551 ' ' THR . . . . . 0.749 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 97.3 m -121.67 133.54 54.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 111.484 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 37.3 t -127.64 122.25 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.407 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.45 -86.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.273 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -134.36 -79.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.32 . . . . 0.0 111.218 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 86.8 t -93.75 -42.49 13.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -94.41 144.4 25.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.1 t -117.42 119.14 60.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.749 ' HB2' ' HB ' ' A' 1551 ' ' THR . 3.9 mptp? -85.73 158.11 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -144.48 119.11 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.868 ' HB2' ' HB3' ' A' 1549 ' ' SER . 35.3 mmtp -100.03 121.07 40.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.396 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.619 ' HA ' HG22 ' A' 1548 ' ' THR . . . -138.58 164.29 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.012 0.434 . . . . 0.0 111.673 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -112.92 131.11 55.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.735 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.848 ' HA ' HG12 ' A' 1545 ' ' VAL . 1.8 tt -66.38 134.24 52.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.672 ' HB2' ' HG3' ' A' 1544 ' ' LYS . 74.1 mt -90.12 -49.78 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.712 0.292 . . . . 0.0 110.824 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.8 t70 -166.98 138.46 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.761 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 65.6 mt -95.24 132.33 39.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.144 0.497 . . . . 0.0 112.063 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' 1542 ' ' ALA . 28.5 m-85 -107.33 -18.34 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.196 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.5 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 87.0 tttt -154.27 117.44 4.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.735 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1569 ' ' THR . . . . . 0.61 HG22 ' H ' ' A' 1571 ' ' GLU . 12.2 m -46.81 153.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.066 0.46 . . . . 0.0 111.616 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.884 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -84.98 -3.02 88.13 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.998 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.61 ' H ' HG22 ' A' 1569 ' ' THR . 37.2 tt0 59.55 10.24 1.84 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.14 0.495 . . . . 0.0 110.628 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -131.93 -77.21 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.335 0.588 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' 1573 ' ' VAL . 9.3 p -151.7 37.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.014 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.793 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -83.12 116.36 22.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.919 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.422 ' O ' HD13 ' A' 1563 ' ' LEU . 45.7 mt-10 -129.83 137.01 50.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.663 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -51.93 122.46 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.697 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.0 t70 66.17 42.38 3.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 46.4 p -90.15 -168.0 2.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.562 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -111.88 104.88 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.526 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.667 HD12 ' HE1' ' A' 1582 ' ' PHE . 28.9 pt -100.96 148.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.52 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.5 m -140.32 100.42 3.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.653 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.667 ' HE1' HD12 ' A' 1580 ' ' ILE . 60.2 m-85 -94.33 136.2 34.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.309 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.689 HG22 ' HG3' ' A' 1558 ' ' LYS . 44.7 pt -123.95 146.15 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.891 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.788 ' HB3' HD23 ' A' 1621 ' ' LEU . 58.3 pttt -139.46 -169.69 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.504 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -101.72 -174.84 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.821 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.0 p -85.58 -29.12 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.3 p -82.3 6.64 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.99 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.54 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 25.7 t -90.93 31.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.682 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 7.3 t -54.98 -25.54 30.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.446 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 22.0 m120 -59.61 -55.62 32.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.914 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.436 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -67.57 102.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.731 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -107.17 146.26 31.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.192 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.6 mt -134.15 168.83 18.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.73 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.494 ' HB ' ' HB2' ' A' 1597 ' ' ARG . 49.0 t -133.29 130.89 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -68.72 107.28 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.688 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 106.03 6.99 36.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.323 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.662 ' HA ' ' HE ' ' A' 1597 ' ' ARG . 2.5 tpm_? -100.96 158.95 15.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.72 0.295 . . . . 0.0 110.653 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' 1597 ' ' ARG . 96.2 mt-30 -103.09 133.16 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -140.03 144.4 36.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.591 HD22 HH21 ' A' 1530 ' ' ARG . 61.2 tp -89.34 122.55 32.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.3 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.501 HG22 ' HE1' ' A' 1541 ' ' TYR . 77.3 mt -115.54 127.3 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.096 0.474 . . . . 0.0 111.549 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.497 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 60.1 mtp -144.52 118.27 9.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.194 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.581 ' N ' HG23 ' A' 1539 ' ' ILE . . . 174.57 -162.16 32.2 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.068 -1.063 . . . . 0.0 113.547 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.687 ' HE3' ' HG3' ' A' 1538 ' ' GLU . 35.0 mmtp -49.58 148.61 2.78 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.75 0.31 . . . . 0.0 111.317 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.41 -174.49 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.191 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -76.61 153.32 35.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.447 HD12 HG13 ' A' 1618 ' ' ILE . 93.2 mt -67.89 -170.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.791 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.468 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 54.7 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.272 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.468 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 16.5 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.447 HG13 HD12 ' A' 1607 ' ' LEU . 37.5 pt -66.73 -178.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.279 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.483 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 68.4 m-85 -128.62 134.84 26.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.991 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.87 171.81 16.68 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.588 2.192 . . . . 0.0 112.29 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.788 HD23 ' HB3' ' A' 1584 ' ' LYS . 52.1 tp -150.63 104.59 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.788 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 10.6 m-20 -137.7 -160.14 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 47.9 t -74.71 -34.77 62.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.558 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.498 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.8 pt? -67.11 -15.58 63.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.28 . . . . 0.0 110.964 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 55.6 m -71.23 112.81 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.497 ' HB3' ' HB2' ' A' 1602 ' ' MET . 50.1 t-105 -74.98 109.77 8.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' A' 1600 ' ' LEU . 62.9 mt -123.92 123.2 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -125.84 149.19 48.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.031 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.496 ' O ' ' HD3' ' A' 1631 ' ' PRO . 38.8 t80 -80.71 130.07 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.402 ' CZ2' HD23 ' A' 1646 ' ' LEU . 4.7 t-105 -108.88 92.13 10.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.471 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.8 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.4 Cg_exo -53.76 102.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.589 2.193 . . . . 0.0 112.408 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -74.71 -23.27 58.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.695 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -89.03 137.16 32.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.779 ' HA ' HD23 ' A' 1643 ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -66.16 -26.44 67.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.573 ' O ' HD13 ' A' 1646 ' ' LEU . 56.2 t80 -76.22 -31.39 58.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.809 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.8 HD21 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -74.15 -0.45 16.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.13 -54.78 4.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.7 p30 -62.7 -15.61 53.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.698 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.598 ' HA ' HH12 ' A' 1530 ' ' ARG . 8.6 mp -77.02 -32.16 56.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.609 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.96 -39.04 93.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1648 ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' 1652 ' ' ASP . 1.3 mp0 -74.52 -1.1 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 47.9 t80 -103.44 -30.77 10.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.803 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1650 ' ' ALA . . . . . 0.627 ' O ' HG22 ' A' 1653 ' ' ILE . . . -59.41 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.31 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1651 ' ' GLU . . . . . 0.627 ' HA ' ' HD2' ' A' 1654 ' ' PHE . 28.7 tt0 -60.75 -4.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.312 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' 1648 ' ' GLU . 22.6 t70 -74.47 -6.78 50.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.454 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' 1650 ' ' ALA . 6.6 tt -114.33 -42.34 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1654 ' ' PHE . . . . . 0.627 ' HD2' ' HA ' ' A' 1651 ' ' GLU . 9.5 m-85 -68.18 -44.8 75.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.937 0.399 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.432 ' HB2' ' HG2' ' A' 1651 ' ' GLU . 1.4 tp -75.89 -46.1 31.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.026 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' 1652 ' ' ASP . 19.2 m120 -75.3 -72.1 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.88 108.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.883 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.709 0.29 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.628 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 35.2 t -50.17 110.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.801 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.482 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 80.24 38.91 16.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.105 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.408 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 53.5 tt0 -51.93 103.4 0.06 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.837 0.351 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 25.2 mmt -71.63 151.67 43.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1518 ' ' GLN . . . . . 0.503 ' HG3' ' HG2' ' A' 1628 ' ' GLU . 86.0 mm-40 -79.92 167.89 19.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.612 ' HB2' ' HB3' ' A' 1522 ' ' ASP . 45.8 mt-10 -66.65 171.33 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -103.02 128.04 50.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' 1642 ' ' PHE . 76.0 mt 57.73 21.98 7.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.612 ' HB3' ' HB2' ' A' 1519 ' ' GLU . 5.4 p-10 -57.97 104.99 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.737 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 67.5 mt -91.13 97.33 11.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1524 ' ' THR . . . . . 0.472 HG23 HG13 ' A' 1525 ' ' ILE . 6.9 t -172.97 -24.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.472 HG13 HG23 ' A' 1524 ' ' THR . 60.0 mt -94.67 122.15 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 85.8 p -86.49 -175.75 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.795 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -81.93 0.45 39.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -119.56 -12.57 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 86.7 m -84.37 -36.27 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.451 ' HB3' HG21 ' A' 1525 ' ' ILE . 5.5 ptp180 -86.94 -24.61 24.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.021 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.614 ' HE3' HD13 ' A' 1653 ' ' ILE . 88.1 tttt -68.64 -22.48 64.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -55.6 -22.06 20.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.03 0.443 . . . . 0.0 110.326 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.742 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 48.2 m -91.03 -30.11 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.516 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.68 71.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 32.8 t -102.98 5.19 38.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.755 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.742 ' HE3' ' HA ' ' A' 1533 ' ' THR . 38.0 ttmt -61.18 137.48 94.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.739 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.22 -52.56 8.53 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.676 2.251 . . . . 0.0 112.865 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.436 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.7 pt-20 -59.6 -28.62 67.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.055 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.614 HD12 ' HA2' ' A' 1603 ' ' GLY . 45.3 mm -84.71 144.36 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.424 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -114.82 -67.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.694 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.933 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.0 p90 -93.13 157.82 16.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.29 0.567 . . . . 0.0 112.186 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.84 99.95 2.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.468 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.673 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.5 OUTLIER -152.38 179.46 8.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.046 0.451 . . . . 0.0 112.089 -178.723 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.649 ' NZ ' ' HB3' ' A' 1564 ' ' LEU . 22.8 pttp -115.97 141.23 48.39 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.751 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.925 HG12 ' HA ' ' A' 1563 ' ' LEU . 10.6 m -138.88 177.14 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.293 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.463 ' CB ' HD11 ' A' 1564 ' ' LEU . 18.2 t -146.1 129.91 17.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.633 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.2 mm -67.52 131.0 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.788 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1548 ' ' THR . . . . . 0.477 ' O ' ' HE2' ' A' 1595 ' ' LYS . 5.4 t -132.95 -10.66 3.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.548 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.871 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 56.3 m -150.11 138.71 20.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.3 mt -135.46 117.65 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 93.2 m -103.53 103.38 13.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.269 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.2 p -105.69 126.79 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.72 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -114.82 -67.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -166.33 -62.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.502 HG12 HG11 ' A' 1586 ' ' VAL . 4.9 m -107.57 -49.21 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.42 ' N ' HG23 ' A' 1555 ' ' VAL . 10.5 m-85 -95.43 113.21 24.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.657 HG13 ' HB3' ' A' 1584 ' ' LYS . 7.1 p -114.6 140.39 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.738 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 31.1 mttp -120.39 159.92 24.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.094 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.606 ' HE1' ' HE2' ' A' 1584 ' ' LYS . 89.8 m-85 -134.6 109.1 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.871 ' HB2' ' HB2' ' A' 1549 ' ' SER . 3.2 mmmp? -88.27 98.77 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.226 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -105.76 169.68 8.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 111.663 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 7.2 m -115.59 129.68 56.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.997 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.925 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.9 tp -73.2 95.27 2.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.649 ' HB3' ' NZ ' ' A' 1544 ' ' LYS . 9.0 mp -49.81 -50.88 43.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.578 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.615 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.6 t70 -166.25 152.52 9.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.795 HG12 HD21 ' A' 1563 ' ' LEU . 55.0 mt -99.5 123.08 52.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.942 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.552 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 84.0 m-85 -99.87 -20.73 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.449 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 2.7 tmtp? -154.66 123.13 6.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.303 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1569 ' ' THR . . . . . 0.488 HG22 ' H ' ' A' 1571 ' ' GLU . 4.6 m -46.11 155.73 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.202 0.525 . . . . 0.0 111.897 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.933 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -93.2 0.69 69.11 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.014 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.488 ' H ' HG22 ' A' 1569 ' ' THR . 44.2 mt-10 58.04 8.54 0.77 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.035 0.445 . . . . 0.0 110.7 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -152.38 71.22 0.94 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.224 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 94.1 t 56.33 80.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.412 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.559 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -108.9 125.06 51.61 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.09 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' 1563 ' ' LEU . 41.0 mt-10 -135.06 146.35 48.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.915 0.388 . . . . 0.0 111.352 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.63 144.21 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.043 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.619 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.4 p30 46.93 32.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 61.2 p -70.61 -165.97 0.13 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -120.13 136.02 54.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.421 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.612 HD12 ' HE1' ' A' 1582 ' ' PHE . 20.8 pt -139.23 145.09 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 111.723 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 16.3 m -125.48 138.06 53.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.647 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.612 ' HE1' HD12 ' A' 1580 ' ' ILE . 48.5 m-85 -123.91 120.48 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.337 0.589 . . . . 0.0 111.504 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1583 ' ' ILE . . . . . . . . . . . . . 15.6 mm -89.31 152.49 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.723 ' HB2' HD12 ' A' 1621 ' ' LEU . 10.9 ttmm -146.45 146.42 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' A' 1584 ' ' LYS . 30.7 mmtp -100.2 179.19 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.705 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.502 HG11 HG12 ' A' 1555 ' ' VAL . 22.3 m -74.43 -22.01 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.276 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.6 p -72.55 -37.99 68.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.279 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.628 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.7 m -67.93 86.54 0.24 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.807 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 57.1 m -100.13 -33.17 10.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.408 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 3.0 t-20 -68.99 -20.5 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.662 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.482 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -90.84 126.64 36.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.73 137.1 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.48 HD22 HD11 ' A' 1547 ' ' ILE . 1.8 mp -120.91 169.97 9.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 62.1 t -123.81 140.5 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.477 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.9 tttm -75.61 110.14 9.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 123.92 -35.73 3.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.626 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -74.22 167.63 21.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.06 0.457 . . . . 0.0 111.285 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -112.14 144.37 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.741 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -141.19 142.23 34.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.299 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' 1627 ' ' ILE . 48.4 tp -87.67 133.16 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.072 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1601 ' ' ILE . . . . . . . . . . . . . 70.8 mt -130.85 130.77 64.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.09 0.471 . . . . 0.0 112.063 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.517 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 30.6 mtm -145.21 129.25 17.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.867 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.614 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -179.06 175.31 47.19 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.154 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' 1604 ' ' LYS . 0.0 OUTLIER -52.61 164.96 0.3 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 111.435 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -59.08 154.01 16.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.48 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -60.75 169.08 1.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.529 HD13 HG13 ' A' 1618 ' ' ILE . 7.5 mp -61.86 -177.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.399 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 19.4 m-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.529 HG13 HD13 ' A' 1607 ' ' LEU . 42.2 pt -89.7 173.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.789 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' A' 1582 ' ' PHE . 50.6 m-85 -128.65 131.06 23.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.424 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.14 179.31 6.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.562 2.175 . . . . 0.0 112.135 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.723 HD12 ' HB2' ' A' 1584 ' ' LYS . 32.7 mt -133.24 23.65 4.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -175.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.1 p -71.83 -20.0 61.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' 1624 ' ' LEU . 3.5 tt -63.52 -49.05 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.56 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.401 ' O ' HG13 ' A' 1627 ' ' ILE . 44.0 m -53.57 101.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.472 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -62.92 105.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.544 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.7 mt -124.09 136.59 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.351 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.503 ' HG2' ' HG3' ' A' 1518 ' ' GLN . 46.9 mt-10 -135.44 155.89 49.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.474 ' O ' ' HD3' ' A' 1631 ' ' PRO . 13.2 t80 -86.35 115.81 24.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.453 ' CD2' HD13 ' A' 1646 ' ' LEU . 3.1 t-105 -98.82 103.31 18.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.131 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.62 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 63.6 Cg_exo -51.07 99.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.455 2.103 . . . . 0.0 112.314 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.99 -24.36 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.01 128.01 55.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.839 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.5 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.991 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.847 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 31.5 mm-40 . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.65 0.262 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1641 ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' 1640 ' ' GLN . . . 165.91 -75.54 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.62 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 43.9 t80 -108.45 -6.74 16.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.847 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.9 mm? -77.18 -6.23 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.085 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -78.98 -39.39 34.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.289 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -86.05 -7.18 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.586 HD12 HD13 ' A' 1643 ' ' LEU . 94.7 mt -93.65 -30.34 14.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.75 -44.45 64.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.79 -39.03 87.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.494 ' O ' HG22 ' A' 1653 ' ' ILE . 88.7 t80 -65.75 -22.66 66.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -72.18 -59.05 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.369 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.07 -31.99 72.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.398 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.26 -65.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.585 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.614 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.9 tp -61.46 -32.56 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.787 0.327 . . . . 0.0 111.594 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 45.8 t80 -71.55 -36.55 70.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.402 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 95.4 mt -97.66 -69.71 0.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.316 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -59.06 -71.03 0.13 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.106 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.532 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.05 149.11 1.5 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.898 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' 1514 ' ' CYS . 4.2 p-10 . . . . . 0 CA--C 1.521 -0.142 0 N-CA-C 111.403 0.149 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' 1513 ' ' ASP . 4.4 p 38.01 -140.8 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' A' 1517 ' ' MET . . . -66.18 75.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.248 -0.977 . . . . 0.0 111.343 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -49.52 126.96 14.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.719 0.295 . . . . 0.0 111.309 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.474 ' HG3' ' O ' ' A' 1515 ' ' GLY . 43.9 mtm -132.16 134.9 45.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.844 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.7 173.84 2.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.876 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 46.6 mt-10 -67.95 -177.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1520 ' ' GLU . . . . . 0.621 ' HA ' ' HB3' ' A' 1629 ' ' TYR . 1.9 mp0 -89.97 -76.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.508 ' O ' ' HG ' ' A' 1523 ' ' LEU . 95.3 mt -85.98 31.45 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.223 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.876 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 19.1 t70 -58.81 106.01 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.784 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' 1521 ' ' LEU . 75.6 mt -104.31 96.04 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.4 t -173.3 -16.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.562 ' HB ' HH21 ' A' 1530 ' ' ARG . 65.3 mt -83.2 137.83 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.8 t -81.71 165.99 20.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -78.7 -17.61 55.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.5 mt-10 -91.99 -50.18 5.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.6 m -57.38 -33.75 68.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.562 HH21 ' HB ' ' A' 1525 ' ' ILE . 41.8 ttm180 -74.64 -26.15 59.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.74 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.5 ' HG3' ' OD1' ' A' 1652 ' ' ASP . 9.0 tmtm? -82.4 -31.08 29.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.77 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.0 mt-30 -57.6 -16.51 10.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.667 ' HA ' ' HB2' ' A' 1536 ' ' LYS . 60.5 m -87.61 -35.61 17.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.793 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.98 -25.83 65.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.9 t -116.89 5.06 12.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.566 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.801 ' HB3' HD13 ' A' 1539 ' ' ILE . 23.4 ttmm -61.97 141.62 95.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.556 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.54 -48.68 19.3 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.681 2.254 . . . . 0.0 113.025 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.596 ' HG3' HD12 ' A' 1539 ' ' ILE . 3.6 pt-20 -67.86 -5.85 18.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.636 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.893 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.4 mp -113.3 129.35 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.743 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -95.53 -63.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.439 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.525 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 6.1 p90 -102.85 159.8 15.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.007 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.503 ' HB3' ' CB ' ' A' 1568 ' ' LYS . . . -149.46 93.62 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.689 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.694 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 1.3 p90 -143.16 -177.92 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.062 0.458 . . . . 0.0 112.023 -178.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 53.2 tttm -120.31 131.51 54.91 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.854 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.7 m -129.88 -175.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.272 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.453 ' CB ' HD21 ' A' 1564 ' ' LEU . 22.9 t -151.56 136.13 17.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.61 HD13 ' HB2' ' A' 1561 ' ' ALA . 40.8 mm -72.73 127.21 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.72 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 67.1 p -118.6 -28.84 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.448 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.679 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 41.7 t -141.52 154.95 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.962 0.411 . . . . 0.0 111.263 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 81.9 mt -143.16 116.28 3.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.8 m -108.06 121.95 45.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 26.0 t -112.53 124.36 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -103.58 -79.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -147.79 -72.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 23.2 t -102.49 -40.48 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.57 117.34 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' 1583 ' ' ILE . 45.1 t -101.65 134.44 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.758 ' HG3' HG22 ' A' 1583 ' ' ILE . 3.7 mptp? -98.95 153.02 19.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.774 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' 1593 ' ' LEU . 94.7 m-85 -140.01 113.26 8.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.006 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.679 ' HB2' ' HB3' ' A' 1549 ' ' SER . 35.2 mmtp -94.39 118.37 31.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.462 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.61 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -130.76 149.09 52.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.988 0.423 . . . . 0.0 111.475 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.8 m -99.27 137.74 37.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.117 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.854 ' HA ' HG12 ' A' 1545 ' ' VAL . 12.7 tp -81.06 101.07 9.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.373 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' 1546 ' ' SER . 4.0 mm? -60.39 -43.23 96.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.505 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' A' 1543 ' ' TYR . 13.0 t70 -166.94 158.66 12.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.171 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.767 HG12 HD21 ' A' 1563 ' ' LEU . 54.4 mt -109.92 131.22 61.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.836 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.694 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 93.0 m-85 -106.41 -16.12 14.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.503 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 10.8 tmtt? -158.25 110.28 2.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.359 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 31.8 m -42.23 146.51 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.231 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.811 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -103.82 136.41 12.95 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.498 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.39 -27.56 67.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.534 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.854 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -86.94 44.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.526 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.7 t 57.33 87.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.104 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.811 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -118.39 124.13 46.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.621 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.472 ' O ' HD23 ' A' 1563 ' ' LEU . 24.7 mm-40 -133.63 150.58 51.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.293 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -53.33 122.14 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.621 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 60.24 66.13 1.0 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.139 0.495 . . . . 0.0 110.691 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.681 ' H ' ' HB3' ' A' 1563 ' ' LEU . 41.9 p -109.54 -167.21 1.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.714 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -124.07 117.18 24.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.559 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.72 HD11 HG11 ' A' 1545 ' ' VAL . 12.1 pt -127.39 141.03 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.483 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 15.8 m -115.38 140.4 49.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.971 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.649 ' HD2' ' HB2' ' A' 1621 ' ' LEU . 51.3 m-85 -127.16 121.84 32.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.758 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.8 pt -115.99 143.33 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.408 ' HE2' ' CE2' ' A' 1559 ' ' TYR . 64.3 pttt -151.95 -175.35 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.977 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.514 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.7 mptp? -87.05 155.97 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.2 p -85.61 -15.41 10.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 76.3 p -81.2 9.06 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.365 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.612 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 11.2 t -63.17 123.99 20.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.581 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 15.1 m -114.95 59.44 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.605 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 1.4 p-10 176.99 -31.22 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.253 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.612 ' HB3' ' SG ' ' A' 1588 ' ' CYS . . . -105.69 127.59 53.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 111.563 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -144.94 85.43 1.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.584 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.494 HD12 HD11 ' A' 1547 ' ' ILE . 1.3 mm? -55.37 123.08 12.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.694 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 60.1 t -102.35 133.61 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.67 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.1 ttmt -76.25 127.16 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 101.57 0.71 53.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.658 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.694 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 87.8 mtt180 -106.53 164.66 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.952 0.406 . . . . 0.0 111.378 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -112.74 137.13 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -136.59 147.66 47.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.08 0.467 . . . . 0.0 111.393 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' 1543 ' ' TYR . 59.3 tp -95.26 124.55 39.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.114 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.489 HG22 ' HE1' ' A' 1541 ' ' TYR . 59.6 mt -112.57 128.97 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.092 0.472 . . . . 0.0 111.807 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.418 ' HE2' ' HB ' ' A' 1533 ' ' THR . 71.0 mtp -145.54 109.4 4.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.095 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.893 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -177.62 -178.09 46.94 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.364 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.9 tppp? -57.97 161.18 4.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 0.0 111.135 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.854 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.2 pt-20 -66.17 -179.64 0.8 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.964 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -99.25 164.29 12.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.549 HD23 ' H ' ' A' 1607 ' ' LEU . 1.5 pt? -130.26 139.7 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.849 ' HB3' ' HD1' ' A' 1617 ' ' TYR . 56.9 tp60 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.039 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.849 ' HD1' ' HB3' ' A' 1608 ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.884 0.374 . . . . 0.0 111.095 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.559 HD12 HD13 ' A' 1583 ' ' ILE . 32.5 pt -116.29 123.75 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.635 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.467 ' HD1' ' H ' ' A' 1619 ' ' TYR . 0.8 OUTLIER -69.19 121.42 81.84 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.884 -179.354 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1620 ' ' PRO . . . . . 0.5 ' HG3' HD21 ' A' 1607 ' ' LEU . 38.4 Cg_endo -65.75 -24.11 55.02 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.722 2.281 . . . . 0.0 112.758 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.795 HD11 HD11 ' A' 1627 ' ' ILE . 55.4 tp 51.87 86.53 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -108.86 -177.57 3.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 65.9 p -67.68 -11.76 58.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.8 -33.75 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.505 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.502 ' O ' HG13 ' A' 1627 ' ' ILE . 60.3 m -60.28 98.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.087 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 61.0 t-105 -58.33 103.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.795 HD11 HD11 ' A' 1621 ' ' LEU . 84.3 mt -109.87 131.31 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -138.12 119.3 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.013 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.621 ' HB3' ' HA ' ' A' 1520 ' ' GLU . 80.7 t80 -57.28 136.06 56.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -101.47 102.04 20.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.477 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.4 Cg_exo -54.16 111.44 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.582 2.188 . . . . 0.0 112.406 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -87.95 -24.8 23.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.31 113.72 17.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.81 0.338 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.8 -21.0 66.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 39.0 t80 -96.76 -42.89 7.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.488 ' H ' HD22 ' A' 1643 ' ' LEU . 2.9 mm? -65.43 -18.88 65.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -68.62 -54.85 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -75.22 -21.22 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.71 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 56.5 tp -78.96 -29.4 43.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.714 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.0 -34.29 78.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.05 -17.07 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.511 ' O ' HG22 ' A' 1653 ' ' ILE . 85.7 t80 -89.56 -24.69 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -57.96 -72.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.374 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.97 -27.16 61.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.5 ' OD1' ' HG3' ' A' 1531 ' ' LYS . 14.8 t70 -60.21 -68.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.28 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.524 HG12 ' HB3' ' A' 1567 ' ' TYR . 8.5 tp -67.97 -25.39 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.422 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 39.1 t80 -73.95 -36.53 64.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' 1655 ' ' LEU . 2.5 tm? -105.57 -71.54 0.74 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.711 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 12.6 m120 -82.41 26.35 0.56 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.495 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -62.49 178.16 5.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.059 -0.591 . . . . 0.0 113.145 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.909 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.483 ' OD2' ' HB3' ' A' 1623 ' ' SER . 4.0 p-10 . . . . . 0 N--CA 1.457 -0.109 0 N-CA-C 111.241 0.089 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' 1516 ' ' GLN . 29.7 p 41.8 -145.75 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -61.34 76.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.207 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' 1514 ' ' CYS . 65.1 tt0 -51.7 104.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.802 0.334 . . . . 0.0 110.97 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 64.4 mtt -86.3 140.5 30.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -84.17 176.87 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.03 171.49 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.34 145.94 45.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.44 ' HA ' HD22 ' A' 1521 ' ' LEU . 0.2 OUTLIER 59.67 14.53 4.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.217 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.537 ' OD2' HG13 ' A' 1525 ' ' ILE . 37.5 t70 -63.85 101.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.283 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.441 HD23 ' HD1' ' A' 1642 ' ' PHE . 21.9 mt -86.01 28.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.509 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 64.2 p -116.97 9.45 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.62 0.248 . . . . 0.0 111.345 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.537 HG13 ' OD2' ' A' 1522 ' ' ASP . 76.4 mt -104.45 137.73 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.997 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 48.7 m -84.61 -176.01 6.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -87.65 -32.35 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.167 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' 1532 ' ' GLN . 15.4 mm-40 -84.33 -24.95 29.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 71.4 m -61.89 -34.46 76.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.531 ' NH2' ' HG2' ' A' 1628 ' ' GLU . 13.0 ptm180 -102.0 2.12 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.693 ' HE3' HG13 ' A' 1653 ' ' ILE . 19.2 tptm -98.22 -37.19 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' 1528 ' ' GLU . 80.4 mt-30 -54.2 -27.63 35.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.43 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.714 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 85.4 m -66.68 -41.46 88.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.713 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -67.44 -11.07 56.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.8 t -104.67 -7.85 19.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.714 ' HE2' ' HA ' ' A' 1533 ' ' THR . 52.2 mtmt -71.86 150.51 92.95 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.96 -27.18 30.65 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.564 2.176 . . . . 0.0 112.182 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.0 -12.39 60.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.739 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.661 HD12 ' HA2' ' A' 1603 ' ' GLY . 40.6 mm -111.48 153.58 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.693 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.501 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -128.52 -66.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.7 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.834 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.7 p90 -98.11 156.82 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.382 0.611 . . . . 0.0 112.291 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' 1568 ' ' LYS . . . -150.33 100.45 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.585 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' A' 1565 ' ' ASP . 9.6 p90 -144.9 174.76 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.111 0.482 . . . . 0.0 111.79 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -114.98 139.17 50.05 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.118 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.878 HG12 ' HA ' ' A' 1563 ' ' LEU . 15.3 m -138.86 -179.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.639 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 11.2 t -144.12 122.66 12.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.701 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.562 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.1 mm -61.75 141.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.838 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 68.9 p -135.17 -33.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.626 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 36.9 t -130.23 155.56 46.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.09 0.471 . . . . 0.0 111.402 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.461 HG12 ' HD1' ' A' 1559 ' ' TYR . 86.8 mt -143.22 115.47 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 73.3 m -117.75 124.36 48.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.717 HG23 HG22 ' A' 1557 ' ' VAL . 5.7 p -136.28 136.98 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -101.94 -72.21 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 18.0 m120 -143.79 -72.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.483 ' HB ' ' HB ' ' A' 1586 ' ' VAL . 6.8 m -99.49 -51.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.454 ' N ' HG23 ' A' 1555 ' ' VAL . 63.2 m-85 -82.46 130.27 35.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.846 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.717 HG22 HG23 ' A' 1552 ' ' VAL . 40.8 t -113.76 151.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.417 ' CB ' HG22 ' A' 1583 ' ' ILE . 35.6 mttp -137.15 107.56 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.461 ' HD1' HG12 ' A' 1550 ' ' ILE . 96.2 m-85 -93.91 146.12 24.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.714 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 62.4 mttm -128.86 133.07 47.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.492 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.562 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -141.83 173.1 11.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.982 0.42 . . . . 0.0 111.577 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.3 m -110.11 134.34 52.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.784 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.878 ' HA ' HG12 ' A' 1545 ' ' VAL . 22.6 tp -72.69 122.13 20.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.081 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.9 mp -81.2 -42.0 21.46 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.337 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.0 t70 -168.02 155.1 8.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.732 0.301 . . . . 0.0 111.498 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.56 HG12 HD21 ' A' 1563 ' ' LEU . 16.2 mm -103.54 125.49 58.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.561 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.462 ' HB2' ' O ' ' A' 1542 ' ' ALA . 45.4 m-85 -106.19 -21.57 13.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.411 0.624 . . . . 0.0 109.588 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.501 ' HD2' ' O ' ' A' 1540 ' ' ALA . 3.4 tmtp? -151.21 118.88 6.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.13 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1569 ' ' THR . . . . . 0.587 HG22 ' H ' ' A' 1571 ' ' GLU . 2.9 m -46.44 151.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.115 0.483 . . . . 0.0 112.045 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.834 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -95.6 -4.96 60.4 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.905 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.587 ' H ' HG22 ' A' 1569 ' ' THR . 44.7 mt-10 74.49 -44.29 0.55 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.492 0.317 . . . . 0.0 110.91 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -87.8 48.75 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.492 . . . . 0.0 110.106 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 76.0 t 60.65 82.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.971 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.695 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -117.39 129.57 55.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.362 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.599 ' O ' HD23 ' A' 1563 ' ' LEU . 45.4 mt-10 -145.22 138.47 26.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.888 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 9.0 ptpp? -47.83 142.75 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.617 ' HA ' ' O ' ' A' 1563 ' ' LEU . 10.9 t70 71.37 31.53 2.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.419 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.664 ' H ' ' HB3' ' A' 1563 ' ' LEU . 4.4 m -92.87 -171.2 2.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -109.95 142.51 41.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.625 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.733 HD12 ' HE2' ' A' 1582 ' ' PHE . 32.1 pt -141.22 149.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.554 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 32.2 m -140.69 103.5 4.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.82 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.733 ' HE2' HD12 ' A' 1580 ' ' ILE . 89.4 m-85 -95.43 109.3 21.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.216 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.417 HG22 ' CB ' ' A' 1558 ' ' LYS . 41.5 pt -100.33 144.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.671 ' HB3' HD23 ' A' 1621 ' ' LEU . 65.4 pttt -129.65 175.09 9.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' 1585 ' ' LYS . 12.0 mptt -97.89 -175.23 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.483 ' HB ' ' HB ' ' A' 1555 ' ' VAL . 8.0 p -85.04 -27.93 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.056 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.0 p -83.09 7.52 15.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.473 ' C ' ' H ' ' A' 1590 ' ' ASN . 41.3 t -69.79 -95.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 38.7 m 71.51 -27.18 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.73 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' 1588 ' ' CYS . 16.9 m120 -79.42 -26.51 41.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' 1515 ' ' GLY . . . -113.14 101.32 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -125.92 109.83 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.445 ' HB3' HG13 ' A' 1547 ' ' ILE . 90.1 mt -79.88 120.48 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 88.7 t -84.22 127.77 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -67.48 141.94 56.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 71.38 36.24 63.19 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.376 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.603 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 35.5 ttm180 -142.34 153.69 44.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -98.48 136.56 38.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 0.0 111.496 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.511 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 80.7 m-85 -138.77 159.38 42.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.789 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' 1543 ' ' TYR . 44.6 tp -108.82 124.39 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.564 HD13 HG22 ' A' 1545 ' ' VAL . 2.4 mp -113.88 129.19 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.481 . . . . 0.0 111.618 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.618 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 77.1 mtp -142.32 111.47 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.923 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.661 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -167.28 178.72 41.26 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 119.825 -1.178 . . . . 0.0 113.789 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.654 ' HD3' ' N ' ' A' 1605 ' ' GLU . 7.2 tmtm? -56.55 156.19 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 111.167 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.654 ' N ' ' HD3' ' A' 1604 ' ' LYS . 39.4 tt0 -52.95 150.95 5.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.229 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -71.74 146.45 48.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.984 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.0 mt -68.98 130.9 44.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.807 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 26.7 pt20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.769 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.853 0.359 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 2.7 pp -106.27 152.4 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.601 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' 1582 ' ' PHE . 61.8 m-85 -101.06 123.34 45.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.297 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.86 -175.58 2.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.628 2.218 . . . . 0.0 112.234 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.671 HD23 ' HB3' ' A' 1584 ' ' LYS . 32.8 tp -154.9 96.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.558 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.1 m-20 -142.7 -174.04 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.483 ' HB3' ' OD2' ' A' 1513 ' ' ASP . 78.7 p -58.39 -22.76 55.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.6 -29.2 66.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 54.8 m -74.29 134.67 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.294 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.618 ' HB3' ' HB2' ' A' 1602 ' ' MET . 46.2 t-105 -99.07 106.04 18.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.5 mm -107.89 126.6 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.531 ' HG2' ' NH2' ' A' 1530 ' ' ARG . 10.0 tp10 -135.76 117.44 14.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.603 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 58.1 t80 -55.51 126.26 24.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.015 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.406 ' CE2' HD13 ' A' 1646 ' ' LEU . 20.4 t-105 -95.67 112.19 58.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.12 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.845 ' HG3' ' HB3' ' A' 1642 ' ' PHE . 10.8 Cg_endo -53.28 100.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.699 2.266 . . . . 0.0 112.393 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -60.88 -27.34 68.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.769 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -140.25 -169.53 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.004 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.524 HG21 ' N ' ' A' 1640 ' ' GLN . 73.3 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.524 ' N ' HG21 ' A' 1634 ' ' THR . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1641 ' ' ALA . . . . . 0.406 ' H ' ' CG2' ' A' 1634 ' ' THR . . . -49.98 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.378 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.845 ' HB3' ' HG3' ' A' 1631 ' ' PRO . 74.7 t80 -105.93 -14.97 15.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.083 0.468 . . . . 0.0 110.182 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.582 HD23 ' HG2' ' A' 1631 ' ' PRO . 20.2 mt -63.85 -21.1 66.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.717 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.51 77.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.787 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -84.18 -21.27 31.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.463 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.565 HD12 HD23 ' A' 1643 ' ' LEU . 89.6 mt -77.78 -31.59 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.704 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.48 -36.03 81.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.581 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -66.7 -56.62 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.714 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.53 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 86.1 t80 -55.81 -27.41 51.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.897 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -54.5 -63.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.162 0.506 . . . . 0.0 111.388 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.54 -1.97 56.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.39 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.53 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 15.9 t70 -84.72 -27.64 26.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.996 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.693 HG13 ' HE3' ' A' 1531 ' ' LYS . 20.0 tt -102.2 -27.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.035 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 46.1 t80 -76.43 -48.93 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.82 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 39.4 tp -71.72 -31.64 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.2 m-20 -94.29 -78.02 0.45 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.93 49.93 5.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.658 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.192 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.611 0.243 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.492 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 39.3 t 48.91 83.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.453 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 127.97 -51.89 0.84 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.842 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 47.99 88.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.521 -0.34 . . . . 0.0 111.38 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.56 ' HE1' ' H ' ' A' 1592 ' ' GLU . 12.1 ptp -99.69 173.37 6.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -104.77 176.37 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.48 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 14.4 mm-40 -62.83 148.17 47.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.27 -75.69 0.08 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.277 0.56 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' 1521 ' ' LEU . 0.4 OUTLIER -121.25 93.41 4.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.925 -179.35 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.48 ' OD1' ' HB3' ' A' 1519 ' ' GLU . 4.0 m-20 -145.34 113.81 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.663 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.459 HD11 ' HB1' ' A' 1641 ' ' ALA . 28.9 mt -79.85 100.42 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.987 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1524 ' ' THR . . . . . 0.414 ' H ' ' H ' ' A' 1525 ' ' ILE . 7.6 t -170.23 -18.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.414 ' H ' ' H ' ' A' 1524 ' ' THR . 60.0 mt -92.64 125.08 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1526 ' ' SER . . . . . 0.47 ' HB2' ' OG1' ' A' 1529 ' ' THR . 68.7 m -81.68 161.56 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1527 ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -59.07 -55.76 30.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.702 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.38 -28.97 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.154 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1529 ' ' THR . . . . . 0.47 ' OG1' ' HB2' ' A' 1526 ' ' SER . 87.8 m -59.66 -37.09 77.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.43 ' NH2' HD23 ' A' 1646 ' ' LEU . 56.0 mtm180 -83.24 -40.2 19.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' A' 1658 ' ' CYS . 88.9 tttt -65.35 -22.02 66.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.761 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -55.66 -20.35 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.693 HG22 HG13 ' A' 1539 ' ' ILE . 95.5 m -101.65 -27.42 13.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.597 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.517 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -71.14 2.0 5.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.649 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.7 t -129.89 17.1 5.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 111.286 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.2 mtmt -94.65 152.09 39.63 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.27 -44.53 48.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.717 2.278 . . . . 0.0 112.57 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' 1539 ' ' ILE . 11.0 pt-20 -59.5 -22.72 62.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.693 HG13 HG22 ' A' 1533 ' ' THR . 33.6 mm -103.17 111.46 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.11 -58.62 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.447 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.454 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.3 p90 -106.76 159.73 16.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.055 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -148.71 102.37 3.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.404 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.701 ' HB2' HD11 ' A' 1563 ' ' LEU . 1.4 p90 -150.71 177.01 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.047 0.451 . . . . 0.0 112.015 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.431 ' HD2' ' OH ' ' A' 1567 ' ' TYR . 10.2 ptmm? -116.91 140.51 49.38 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.34 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.806 HG12 ' HA ' ' A' 1563 ' ' LEU . 5.7 m -134.22 -174.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.845 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 13.6 t -150.73 124.66 9.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.777 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.446 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 45.0 mm -61.82 143.4 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.803 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 69.8 p -133.55 -24.55 1.77 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.539 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.704 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 37.7 t -153.0 159.68 42.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 111.314 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.9 mt -139.45 130.52 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.887 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 87.5 m -140.82 107.91 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.82 HG13 HG22 ' A' 1557 ' ' VAL . 38.9 t -89.68 133.75 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1553 ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' 1556 ' ' PHE . 13.0 mm-40 -99.45 -168.32 1.59 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.77 -41.43 91.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.023 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 39.9 t -135.79 -55.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.29 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' 1553 ' ' GLU . 90.0 m-85 -81.4 105.01 12.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.82 HG22 HG13 ' A' 1552 ' ' VAL . 32.2 t -69.74 145.09 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.76 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.699 ' HE2' HD12 ' A' 1583 ' ' ILE . 35.2 mmtp -119.98 150.76 40.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.115 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.479 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 95.9 m-85 -139.86 125.67 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.794 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.704 ' HB3' ' HB3' ' A' 1549 ' ' SER . 0.1 OUTLIER -103.59 131.22 50.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -150.48 -173.9 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.372 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.7 m -131.56 131.75 43.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.806 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.8 tp -76.82 107.41 9.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.482 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' 1545 ' ' VAL . 4.2 mm? -66.48 -58.84 4.4 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.647 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 16.8 t70 -141.53 156.58 45.72 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.366 -0.533 . . . . 0.0 112.097 -178.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.577 ' CD1' HD21 ' A' 1563 ' ' LEU . 16.1 mm -104.26 118.27 51.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.586 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.705 ' HD2' HG21 ' A' 1653 ' ' ILE . 56.0 m-85 -99.94 -13.37 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.687 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 87.3 tttt -164.2 112.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.63 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 55.6 m -44.84 148.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.26 0.552 . . . . 0.0 112.177 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.753 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -106.06 151.84 17.05 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.121 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.74 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 13.6 mm-40 -77.56 -2.85 37.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.882 0.372 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -128.31 80.57 1.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.683 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' 1573 ' ' VAL . 5.5 p 35.27 82.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.784 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.753 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -107.23 124.03 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.913 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.723 ' HB3' ' HB3' ' A' 1578 ' ' SER . 29.4 tt0 -134.11 148.4 50.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.688 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.647 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 21.4 ptmt -78.52 48.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.509 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.644 ' HB2' ' O ' ' A' 1576 ' ' LYS . 18.9 t70 164.12 8.82 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.236 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.723 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 28.7 p -72.3 -171.65 0.8 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -101.71 149.77 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.376 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.56 HD12 ' CE2' ' A' 1582 ' ' PHE . 14.7 pt -143.72 145.93 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.041 0.448 . . . . 0.0 111.831 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1581 ' ' THR . . . . . 0.401 ' CG2' HG22 ' A' 1618 ' ' ILE . 16.8 m -133.69 99.92 4.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.318 179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.56 ' CE2' HD12 ' A' 1580 ' ' ILE . 70.7 m-85 -81.54 113.63 19.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.699 HD12 ' HE2' ' A' 1558 ' ' LYS . 4.9 tt -99.26 111.08 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.047 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.439 ' HB2' HD22 ' A' 1621 ' ' LEU . 35.2 ttpt -111.06 152.22 27.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.68 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.558 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 95.0 mttt -86.56 -179.72 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.1 p -91.1 -21.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 79.5 p -74.51 -33.1 62.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.31 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 1.3 m -58.73 107.88 0.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 58.5 m -103.65 -25.68 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.096 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -81.44 -25.06 36.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.453 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -92.11 109.21 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.27 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1592 ' ' GLU . . . . . 0.56 ' H ' ' HE1' ' A' 1517 ' ' MET . 43.3 mt-10 -132.07 140.89 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.593 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.428 HD11 HD21 ' A' 1621 ' ' LEU . 87.4 mt -126.57 144.07 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.075 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.4 ' CG1' ' HD3' ' A' 1597 ' ' ARG . 46.0 t -110.22 141.41 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.87 106.6 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 121.29 -19.75 8.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.744 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.739 ' HA ' ' HD2' ' A' 1632 ' ' ARG . 10.2 mpt_? -88.52 158.87 18.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.995 0.426 . . . . 0.0 111.443 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -102.03 144.75 30.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.526 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -143.04 157.87 44.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 0.0 111.421 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' 1543 ' ' TYR . 35.5 tp -104.23 120.68 41.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.228 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.575 HD13 HG22 ' A' 1545 ' ' VAL . 2.5 mp -115.34 126.27 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.972 0.415 . . . . 0.0 111.668 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.517 ' SD ' ' HB2' ' A' 1534 ' ' ALA . 25.9 mtm -142.26 118.5 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.055 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' 1539 ' ' ILE . . . -175.86 -177.83 45.2 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.317 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -56.55 155.7 7.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.867 0.365 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.74 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 13.3 pt-20 -57.55 170.05 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.984 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -91.81 116.02 28.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 9.9 mt -90.95 91.87 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.467 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.753 ' HG3' ' H ' ' A' 1618 ' ' ILE . 69.7 mm-40 . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 121.024 0.44 . . . . 0.0 110.903 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.527 ' HA ' ' HB2' ' A' 1608 ' ' GLN . 7.8 m-85 . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 121.463 0.649 . . . . 0.0 112.183 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.753 ' H ' ' HG3' ' A' 1608 ' ' GLN . 2.0 pt -150.73 100.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.812 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.406 ' CE1' HG22 ' A' 1580 ' ' ILE . 60.7 m-85 -57.37 108.94 1.42 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.536 -178.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1620 ' ' PRO . . . . . 0.621 ' HA ' HG23 ' A' 1583 ' ' ILE . 69.4 Cg_endo -74.08 143.97 33.16 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.659 2.24 . . . . 0.0 112.221 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.548 HD11 ' HB3' ' A' 1582 ' ' PHE . 10.2 mp -103.04 93.33 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.84 177.17 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.668 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 61.1 p -61.0 -15.13 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.7 pp -94.02 14.66 19.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 62.7 m -109.34 119.91 40.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' A' 1601 ' ' ILE . 53.6 t-105 -82.45 110.47 17.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.69 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.8 mt -126.01 115.39 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -123.85 150.54 44.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -83.48 114.01 21.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.443 ' CE2' HD13 ' A' 1646 ' ' LEU . 2.5 t-105 -93.75 115.34 64.98 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.251 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.732 ' HB2' HD11 ' A' 1643 ' ' LEU . 75.9 Cg_exo -49.51 107.23 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.492 2.128 . . . . 0.0 112.432 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.739 ' HD2' ' HA ' ' A' 1597 ' ' ARG . 80.9 mtp180 -50.01 -35.5 24.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.245 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 39.2 t70 -117.05 147.95 41.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.051 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.715 HG22 ' HG ' ' A' 1643 ' ' LEU . 76.4 p . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.45 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.85 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 40.4 mt-30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.904 0.383 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1641 ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' 1523 ' ' LEU . . . -54.24 -72.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 57.7 t80 -81.5 -21.59 38.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.85 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.7 mm? -72.01 -5.92 38.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -80.94 -43.79 19.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -73.25 -11.73 60.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.69 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' 1643 ' ' LEU . 80.1 mt -87.23 -28.7 22.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.775 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -63.73 -39.19 93.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.42 -50.66 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.764 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.468 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 85.4 t80 -62.33 -30.49 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.07 89.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.385 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -96.64 -4.38 41.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.8 t70 -89.85 -23.36 21.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.705 HG21 ' HD2' ' A' 1567 ' ' TYR . 9.5 tp -97.13 -18.11 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.041 0.448 . . . . 0.0 110.728 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.8 t80 -93.56 -48.1 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.294 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 45.3 tp -79.36 -54.76 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.0 m-20 -76.92 -74.63 0.23 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.182 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 72.88 119.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1658 ' ' CYS . . . . . 0.472 ' HB2' ' HE2' ' A' 1531 ' ' LYS . 42.2 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.737 0.303 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 5.4 p -101.13 24.5 9.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.268 0.556 . . . . 0.0 110.461 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -173.82 -43.8 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.428 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 58.23 97.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.918 0.389 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.424 ' HE2' ' HA ' ' A' 1591 ' ' ALA . 21.6 ptp -96.11 169.53 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1518 ' ' GLN . . . . . 0.408 ' HB2' ' HG2' ' A' 1628 ' ' GLU . 29.1 mm-40 -98.49 172.42 7.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.76 159.06 26.01 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1520 ' ' GLU . . . . . 0.679 ' HA ' ' HB3' ' A' 1629 ' ' TYR . 44.6 mt-10 -82.0 -19.33 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.671 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 41.1 mt -150.25 97.79 2.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -137.01 109.78 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.631 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 45.4 mt -86.61 12.46 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.954 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 73.6 p -85.69 -43.53 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.3 mt -74.3 134.87 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 62.9 m -92.12 -176.65 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1527 ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -74.98 -52.81 10.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -67.22 -21.09 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 72.5 m -66.23 -38.66 88.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -97.22 -3.11 41.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.536 ' HD3' ' O ' ' A' 1531 ' ' LYS . 1.1 tmtp? -84.54 -34.3 23.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.5 mm-40 -56.36 -21.86 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.002 0.43 . . . . 0.0 110.525 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.629 HG23 ' HE2' ' A' 1536 ' ' LYS . 82.6 m -80.66 -30.5 36.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.758 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.422 ' O ' ' HE2' ' A' 1568 ' ' LYS . . . -59.7 -52.71 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.187 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.8 t -85.04 8.46 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.674 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 33.4 ttpt -66.93 137.85 94.9 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.588 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1537 ' ' PRO . . . . . 0.647 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 9.6 Cg_endo -52.04 -53.25 7.28 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.921 2.414 . . . . 0.0 113.034 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.674 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 11.2 pt-20 -59.75 -18.59 44.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 0.0 111.201 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.798 HD12 ' HA2' ' A' 1603 ' ' GLY . 43.3 mm -96.8 140.14 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.842 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -107.56 -67.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.72 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.477 ' HE1' HG22 ' A' 1601 ' ' ILE . 5.4 p90 -103.23 158.69 16.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.182 0.515 . . . . 0.0 111.925 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -146.9 94.12 2.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.304 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.773 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 5.6 p90 -147.37 168.97 20.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 111.753 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.501 ' HG2' ' HE1' ' A' 1567 ' ' TYR . 23.2 ptmt -103.56 144.07 31.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.346 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.896 HG12 ' HA ' ' A' 1563 ' ' LEU . 18.9 m -140.92 -176.3 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.484 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.4 ' CB ' HD11 ' A' 1564 ' ' LEU . 15.1 t -147.83 129.94 15.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.834 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 42.5 mm -63.14 124.45 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1548 ' ' THR . . . . . 0.466 ' O ' ' HE3' ' A' 1595 ' ' LYS . 73.4 p -111.75 -13.18 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.63 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.715 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 35.1 t -169.28 157.83 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.989 0.424 . . . . 0.0 111.321 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.44 HG12 ' HD1' ' A' 1559 ' ' TYR . 76.3 mt -136.34 103.69 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.801 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.8 m -91.59 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.0 p -96.17 132.57 40.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.013 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1553 ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' 1556 ' ' PHE . 43.8 mt-10 -117.6 -166.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -60.27 -56.31 23.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.143 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 38.6 t -122.66 -45.5 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.381 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' 1553 ' ' GLU . 93.1 m-85 -85.23 168.93 14.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 111.12 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 69.9 t -143.27 144.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.621 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.502 ' HG2' ' CD1' ' A' 1583 ' ' ILE . 87.5 mttt -123.99 109.96 14.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.07 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.586 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 96.4 m-85 -88.5 107.55 18.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.715 ' HB3' ' HB3' ' A' 1549 ' ' SER . 22.3 tptm -84.88 120.31 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.468 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -141.24 163.73 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.053 0.454 . . . . 0.0 111.662 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.6 m -110.65 144.38 39.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.773 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.896 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.3 tt -77.62 119.54 21.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.172 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.572 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.0 mp -74.54 -48.93 24.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.783 0.325 . . . . 0.0 111.03 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.1 t70 -167.86 141.6 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.773 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.3 mt -96.96 129.95 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.066 0.46 . . . . 0.0 112.119 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.501 ' HE1' ' HG2' ' A' 1544 ' ' LYS . 48.3 m-85 -106.1 -15.92 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.125 178.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.646 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 61.7 tttp -153.42 112.49 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.749 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 72.5 m -45.41 146.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.153 0.501 . . . . 0.0 112.033 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.828 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -100.61 131.61 10.63 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.275 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -58.25 -27.95 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.68 42.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.502 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 71.1 t 56.56 91.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.321 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.828 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -114.63 136.72 52.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.672 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -138.96 149.35 44.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.096 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' 1576 ' ' LYS . 1.7 tmtp? -52.61 119.08 4.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.303 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.699 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 62.83 69.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 22.8 t -111.97 -166.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.411 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -110.8 135.92 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.697 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.606 HD12 ' HE1' ' A' 1582 ' ' PHE . 18.3 pt -141.38 143.11 28.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.618 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 6.2 m -127.79 105.85 8.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.657 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.606 ' HE1' HD12 ' A' 1580 ' ' ILE . 64.3 m-85 -80.4 104.27 10.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.075 0.464 . . . . 0.0 111.219 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.502 ' CD1' ' HG2' ' A' 1558 ' ' LYS . 1.1 mm -81.97 120.3 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.26 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.586 ' HB2' HD23 ' A' 1621 ' ' LEU . 34.1 ttpt -142.76 157.92 44.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.043 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -91.86 -176.55 4.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 13.8 p -100.51 -9.19 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.5 p -71.35 -25.41 62.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.477 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.9 m -60.24 167.99 2.19 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.017 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 28.4 m -154.33 -17.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.748 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' 1517 ' ' MET . 36.0 m-80 -110.06 -13.56 14.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.185 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.424 ' HA ' ' HE2' ' A' 1517 ' ' MET . . . -103.23 39.64 1.54 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -100.23 111.18 23.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.518 ' N ' HD12 ' A' 1593 ' ' LEU . 3.4 mp -95.89 158.68 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 49.6 t -104.75 146.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' 1548 ' ' THR . 86.9 tttt -81.58 141.52 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 93.4 -12.69 69.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.779 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.697 ' HD3' ' HE2' ' A' 1629 ' ' TYR . 93.0 mtt180 -99.64 171.9 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.432 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.542 ' HG3' ' HD2' ' A' 1632 ' ' ARG . 27.1 mt-30 -111.88 133.46 54.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -135.06 141.62 46.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.314 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 61.0 tp -78.29 140.44 38.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.149 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.477 HG22 ' HE1' ' A' 1541 ' ' TYR . 47.9 mm -128.93 121.4 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.105 0.478 . . . . 0.0 111.755 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.413 ' O ' ' HB3' ' A' 1626 ' ' TRP . 74.0 mtp -145.68 109.0 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.001 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.798 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -174.69 -172.94 40.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 119.875 -1.155 . . . . 0.0 113.646 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.475 ' HZ3' ' HG2' ' A' 1605 ' ' GLU . 27.8 tptp -53.44 157.37 2.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.45 -0.375 . . . . 0.0 111.277 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.623 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.7 pt-20 -71.22 -174.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.44 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -93.85 -177.22 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.0 mt -93.36 -168.93 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.432 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 21.2 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.432 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 29.6 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.682 0.277 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.511 ' O ' HD12 ' A' 1618 ' ' ILE . 2.6 pp -52.37 146.05 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.489 ' CE1' HG22 ' A' 1580 ' ' ILE . 56.1 m-85 -97.5 122.72 54.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.816 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.59 -174.49 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.523 2.149 . . . . 0.0 112.204 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' 1584 ' ' LYS . 44.3 tp -159.2 95.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.776 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.522 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.8 m-20 -122.83 -176.54 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 75.2 p -63.66 -17.35 62.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.95 10.75 10.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.836 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.508 HG22 HG13 ' A' 1627 ' ' ILE . 36.7 m -100.4 106.79 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.413 ' HB3' ' O ' ' A' 1602 ' ' MET . 59.2 t-105 -78.1 104.13 8.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.777 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.508 HG13 HG22 ' A' 1625 ' ' THR . 66.0 mt -120.83 141.48 41.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.085 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' 1518 ' ' GLN . 47.6 mt-10 -138.81 -176.81 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.697 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 63.5 t80 -114.37 135.28 54.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.68 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -106.27 100.78 31.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.723 ' HB2' HD21 ' A' 1643 ' ' LEU . 52.8 Cg_exo -52.73 110.54 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.608 2.205 . . . . 0.0 112.414 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.542 ' HD2' ' HG3' ' A' 1598 ' ' GLN . 74.0 mtp180 -81.22 -5.39 57.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -100.6 115.46 30.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.797 ' HA ' HD23 ' A' 1643 ' ' LEU . 11.8 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.771 0.319 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.55 96.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 71.9 t80 -65.56 -32.82 74.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.797 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -73.07 -32.39 64.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1644 ' ' ALA . . . . . 0.406 ' HA ' ' OD2' ' A' 1647 ' ' ASP . . . -59.32 -48.53 81.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -73.27 -4.99 36.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 51.9 tp -99.58 -25.87 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1647 ' ' ASP . . . . . 0.406 ' OD2' ' HA ' ' A' 1644 ' ' ALA . 45.7 m-20 -59.71 -41.47 90.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.652 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.68 -28.04 68.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.652 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.441 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 73.4 t80 -79.84 -33.01 40.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -62.26 -24.58 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.411 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -102.7 -35.81 8.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.941 0.401 . . . . 0.0 111.013 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' A' 1656 ' ' ASN . 20.2 t70 -62.9 -11.4 18.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.291 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' 1649 ' ' PHE . 9.3 tp -106.05 -30.86 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 111.193 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 50.6 t80 -93.68 -55.34 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' 1655 ' ' LEU . 1.6 tm? -66.03 -43.95 86.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.332 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' A' 1652 ' ' ASP . 4.0 m-20 -89.71 -70.9 0.64 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.246 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.89 174.73 37.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.886 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.535 0.207 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' 1589 ' ' THR . 31.6 p -46.64 141.58 3.71 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 42.89 40.1 3.95 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.131 -1.033 . . . . 0.0 111.161 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -32.16 112.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.87 -0.665 . . . . 0.0 112.056 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.441 ' HE3' ' H ' ' A' 1592 ' ' GLU . 24.5 mmt -97.09 -168.16 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.53 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -136.31 165.82 24.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.76 139.92 55.61 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -66.12 -23.3 66.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 70.0 mt -149.57 99.83 2.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -120.47 119.04 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.746 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 54.4 mt -106.08 4.52 29.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 70.7 p -92.67 -26.22 17.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.7 mt -80.89 129.43 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.8 m -82.86 163.41 21.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -68.72 -21.9 64.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.0 mt-10 -88.4 -28.94 20.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 64.4 m -62.55 -44.01 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' 1530 ' ' ARG . 4.4 ptp180 -76.41 -9.42 58.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.683 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 22.8 tptm -91.56 -26.19 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.0 mm-40 -59.03 -17.41 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.988 0.423 . . . . 0.0 110.465 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.773 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 71.1 m -93.42 -28.33 16.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.683 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -68.82 -41.27 78.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.514 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 31.2 t -70.36 -5.52 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.773 ' HE2' ' HA ' ' A' 1533 ' ' THR . 49.9 mtmt -79.95 142.5 56.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.978 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1537 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 32.3 Cg_exo -58.39 -28.2 84.17 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.732 2.288 . . . . 0.0 112.317 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.88 -30.94 69.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.879 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -99.15 120.36 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -93.92 -59.1 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.962 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.46 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -105.78 167.5 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.426 0.631 . . . . 0.0 112.36 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -156.07 114.78 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.438 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.709 ' HB2' HD11 ' A' 1563 ' ' LEU . 0.8 OUTLIER -167.22 171.02 11.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 112.088 -179.308 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.468 ' HE2' ' CD2' ' A' 1630 ' ' TRP . 15.0 ttmt -106.27 124.37 49.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.601 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' 1563 ' ' LEU . 30.4 m -114.76 177.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.348 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.454 ' HB3' HD11 ' A' 1564 ' ' LEU . 80.6 p -146.17 116.01 7.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.045 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.437 HD13 ' HB2' ' A' 1561 ' ' ALA . 39.6 mm -55.67 142.69 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.726 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1548 ' ' THR . . . . . 0.41 ' O ' ' HE3' ' A' 1595 ' ' LYS . 61.6 p -130.46 -34.36 1.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.77 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 75.3 m -147.48 146.92 29.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 111.533 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.1 mt -129.67 138.58 53.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 68.5 m -151.28 136.9 17.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.235 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.743 HG23 HG22 ' A' 1557 ' ' VAL . 5.1 p -115.25 137.77 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -139.7 119.65 13.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 52.7 t30 59.81 -84.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.11 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' 1556 ' ' PHE . 5.0 m -131.24 -48.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' A' 1584 ' ' LYS . 96.3 m-85 -69.83 120.69 15.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.743 HG22 HG23 ' A' 1552 ' ' VAL . 30.7 t -98.0 116.36 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.747 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.6 OUTLIER -83.94 150.32 25.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -137.7 101.34 4.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -82.43 111.13 18.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.467 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.437 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -114.62 -178.3 3.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.489 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 10.0 m -136.3 114.75 11.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.73 HD21 HG12 ' A' 1566 ' ' ILE . 16.4 tp -60.63 103.83 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' 1545 ' ' VAL . 74.0 mt -61.04 -41.06 95.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.226 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.472 ' O ' HD11 ' A' 1563 ' ' LEU . 20.8 t70 -168.97 150.45 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.73 HG12 HD21 ' A' 1563 ' ' LEU . 54.6 mt -90.44 142.52 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 121.149 0.5 . . . . 0.0 112.009 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.507 ' HB2' ' O ' ' A' 1542 ' ' ALA . 42.0 m-85 -121.42 -13.49 8.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.14 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.6 tttp -168.79 109.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.429 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 26.3 m -42.29 143.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.213 0.53 . . . . 0.0 112.288 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.796 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -100.86 126.4 8.91 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.33 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -59.04 -24.68 63.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.785 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -91.07 43.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.628 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.5 t 58.34 92.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.215 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.796 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -125.01 129.35 50.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.602 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.591 ' O ' HD23 ' A' 1563 ' ' LEU . 43.2 mt-10 -136.33 152.93 51.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.522 ' N ' HD11 ' A' 1566 ' ' ILE . 61.3 tttm -60.93 129.71 42.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.981 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.7 t70 62.02 43.87 8.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.179 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 45.0 m -90.95 -176.81 4.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.661 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -122.39 119.63 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.616 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.748 HD13 ' H ' ' A' 1580 ' ' ILE . 0.2 OUTLIER -130.94 160.32 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.395 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 20.2 m -123.03 133.53 54.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' 1619 ' ' TYR . 36.5 m-85 -117.44 114.62 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.747 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.8 pt -98.87 152.46 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.367 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.778 ' HB3' HD12 ' A' 1621 ' ' LEU . 60.8 pttt -142.71 -172.23 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.563 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -124.01 135.03 53.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 19.6 m -65.84 -11.94 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.2 p -88.3 2.94 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 11.0 t -88.67 124.29 33.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1589 ' ' THR . . . . . 0.48 ' N ' ' SG ' ' A' 1514 ' ' CYS . 20.8 m -113.5 65.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.957 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' 1514 ' ' CYS . 26.4 t-20 -175.16 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -84.39 131.56 34.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.003 0.43 . . . . 0.0 111.5 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1592 ' ' GLU . . . . . 0.441 ' H ' ' HE3' ' A' 1517 ' ' MET . 27.8 mm-40 -141.06 138.81 33.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.775 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 97.0 mt -135.75 121.29 19.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 67.5 t -99.01 142.43 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' 1548 ' ' THR . 87.2 tttt -69.28 141.13 54.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 58.63 66.1 3.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.57 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.445 ' HB3' ' CE2' ' A' 1599 ' ' TYR . 32.3 ttt180 -151.85 150.93 30.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.66 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -87.19 116.67 25.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.481 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' 1597 ' ' ARG . 49.0 m-85 -130.06 123.85 31.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.062 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.896 ' HB3' ' HB2' ' A' 1628 ' ' GLU . 55.0 tp -82.41 122.44 28.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.427 HD13 ' CZ ' ' A' 1582 ' ' PHE . 85.6 mt -117.17 138.19 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.025 0.441 . . . . 0.0 111.643 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.589 ' HG2' HG21 ' A' 1539 ' ' ILE . 57.9 ttp -154.9 128.23 8.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.403 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.879 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 161.47 -158.27 30.02 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.472 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 27.1 tptp -43.75 154.12 0.11 Allowed 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 122.75 0.42 . . . . 0.0 111.654 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 10.3 pt-20 -82.1 55.7 2.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.487 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . 53.62 -167.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.964 0.411 . . . . 0.0 111.647 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 25.7 tp -98.7 164.5 12.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.599 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.407 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 35.8 tt0 . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 120.842 0.353 . . . . 0.0 111.321 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 3.2 m-85 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.825 0.345 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.613 HD12 HD13 ' A' 1583 ' ' ILE . 41.8 pt -105.85 130.06 57.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' 1582 ' ' PHE . 2.8 m-85 -72.77 115.13 36.78 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.235 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.23 -172.19 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.728 2.285 . . . . 0.0 112.399 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.778 HD12 ' HB3' ' A' 1584 ' ' LYS . 83.5 mt -143.74 99.79 3.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.729 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -123.1 -171.61 2.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.7 p -80.48 0.86 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.6 pp -95.3 -34.9 12.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.463 ' O ' HG12 ' A' 1627 ' ' ILE . 39.0 m -59.14 97.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.172 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -60.33 105.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.796 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' 1625 ' ' THR . 50.6 mm -101.97 142.68 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.0 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.896 ' HB2' ' HB3' ' A' 1600 ' ' LEU . 20.8 mm-40 -141.52 158.91 43.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 48.3 t80 -107.46 132.29 53.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.586 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.468 ' CD2' ' HE2' ' A' 1544 ' ' LYS . 4.4 t-105 -107.88 103.42 49.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.797 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.616 ' HB2' HD13 ' A' 1643 ' ' LEU . 72.0 Cg_exo -49.37 117.77 3.15 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.641 2.228 . . . . 0.0 112.263 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -77.8 5.25 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.222 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -140.07 179.23 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.383 . . . . 0.0 111.22 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 57.4 p . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.061 179.886 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 60.0 tt0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.826 0.346 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.28 70.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.212 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.496 ' HE2' HD22 ' A' 1646 ' ' LEU . 55.6 t80 -87.94 -33.92 18.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' 1631 ' ' PRO . 1.1 tp -70.1 -11.98 61.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -93.35 -31.89 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -87.25 -20.08 27.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.496 HD22 ' HE2' ' A' 1642 ' ' PHE . 62.3 tp -91.29 -24.02 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.09 -34.81 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.785 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -63.81 -37.29 86.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.759 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.452 ' O ' HG22 ' A' 1653 ' ' ILE . 89.3 t80 -76.81 -27.96 55.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -61.86 -23.38 66.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.278 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -115.93 -3.58 12.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.037 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' 1656 ' ' ASN . 20.5 t70 -90.68 -10.62 42.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.516 HD11 ' HD2' ' A' 1568 ' ' LYS . 6.9 tp -108.27 -30.6 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.037 0.446 . . . . 0.0 110.788 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 38.1 t80 -84.67 -46.83 11.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.992 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.36 -63.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.715 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' 1652 ' ' ASP . 13.6 m120 -63.93 -72.45 0.14 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.404 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 68.71 162.03 2.46 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.401 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 38.9 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.893 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.614 0.245 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.552 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 8.2 t 52.1 92.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.305 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . 80.67 42.79 9.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.707 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -47.81 130.77 14.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.377 -0.411 . . . . 0.0 111.207 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 85.0 mtp -118.1 166.19 12.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -94.14 153.86 17.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.68 167.14 13.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -99.19 120.53 39.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.2 mt 57.01 90.33 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' 1524 ' ' THR . 7.5 p-10 -148.27 83.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.884 ' H ' HD22 ' A' 1523 ' ' LEU . 0.5 OUTLIER -59.8 98.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1524 ' ' THR . . . . . 0.433 HG22 ' O ' ' A' 1522 ' ' ASP . 7.5 t -173.81 -18.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.407 ' H ' ' H ' ' A' 1524 ' ' THR . 61.2 mt -88.69 135.38 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.5 t -81.73 150.86 27.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.37 59.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -73.49 -36.88 65.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 63.1 m -59.51 -33.35 71.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.553 HH22 HD12 ' A' 1646 ' ' LEU . 55.5 mtm180 -81.92 -40.4 22.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.569 ' HD3' ' O ' ' A' 1531 ' ' LYS . 1.5 tmtp? -58.79 -41.34 86.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.695 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.2 mm-40 -51.74 -29.41 18.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.67 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.717 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 59.3 m -70.43 -38.32 74.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.428 ' HB2' ' HE3' ' A' 1602 ' ' MET . . . -69.02 -25.64 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.986 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 42.3 t -85.34 -14.08 47.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.717 ' HE3' ' HA ' ' A' 1533 ' ' THR . 97.8 mttt -58.03 150.37 51.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.23 -4.36 12.56 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.457 2.105 . . . . 0.0 112.202 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -92.02 -71.28 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.702 HG13 HG22 ' A' 1533 ' ' THR . 43.6 mm -48.63 147.48 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.55 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.495 ' N ' ' HA ' ' A' 1604 ' ' LYS . . . -119.73 -70.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.638 ' HA ' ' O ' ' A' 1568 ' ' LYS . 8.7 p90 -89.63 144.37 26.05 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.628 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -155.49 108.79 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.77 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER -175.64 -123.81 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.636 178.083 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.483 ' N ' ' HD1' ' A' 1543 ' ' TYR . 39.1 ttmt -135.95 147.52 48.11 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.431 0.634 . . . . 0.0 112.242 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.652 ' HA ' ' H ' ' A' 1564 ' ' LEU . 3.6 m -144.01 168.61 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.058 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 31.3 t -138.15 118.99 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 111.409 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 45.9 mm -57.45 135.71 21.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.715 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 75.6 p -111.16 -43.8 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.626 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 66.7 m -151.37 161.33 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.033 0.444 . . . . 0.0 111.471 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 78.4 mt -127.93 98.68 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.693 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1551 ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 85.3 m -81.89 122.51 27.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.326 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 89.7 t -111.93 122.98 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.745 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -109.25 -73.59 0.68 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.031 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 44.6 t30 -167.88 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' 1586 ' ' VAL . 62.1 t -95.17 -21.39 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' 1584 ' ' LYS . 89.9 m-85 -126.49 108.29 11.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.768 HG23 HG12 ' A' 1586 ' ' VAL . 86.6 t -93.37 115.3 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.776 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.854 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.7 OUTLIER -85.71 144.76 27.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 -179.798 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -127.16 99.54 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.603 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -79.66 137.79 37.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -151.84 176.3 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.198 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 51.8 m -123.58 111.85 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.995 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.67 HD21 ' CG1' ' A' 1566 ' ' ILE . 14.6 tp -64.98 101.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.515 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.652 ' H ' ' HA ' ' A' 1545 ' ' VAL . 10.8 mp -56.14 -66.53 0.42 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.875 0.369 . . . . 0.0 111.97 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.77 ' O ' ' HB3' ' A' 1543 ' ' TYR . 8.2 m-20 -139.14 168.47 19.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.67 ' CG1' HD21 ' A' 1563 ' ' LEU . 10.1 mm -136.04 113.07 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.686 0.616 . . . . 0.0 112.428 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' 1542 ' ' ALA . 20.1 m-85 -75.88 -45.95 32.81 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' 1541 ' ' TYR . 55.4 tttm -123.05 124.23 42.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.142 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1569 ' ' THR . . . . . 0.797 HG22 ' H ' ' A' 1571 ' ' GLU . 26.9 m -51.66 141.27 16.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.59 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.747 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -80.04 1.23 80.7 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.834 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.797 ' H ' HG22 ' A' 1569 ' ' THR . 44.9 mt-10 58.8 9.74 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.589 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -147.34 80.32 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' 1573 ' ' VAL . 21.3 t 46.05 45.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.372 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.747 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -104.31 134.38 47.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.672 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.61 ' HG2' ' HB3' ' A' 1578 ' ' SER . 11.2 pt-20 -167.06 152.85 7.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' 1565 ' ' ASP . 21.7 ptmt -56.09 128.75 36.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' 1563 ' ' LEU . 12.7 t70 69.14 41.19 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.234 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.61 ' HB3' ' HG2' ' A' 1575 ' ' GLU . 85.3 p -104.04 -165.29 1.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.63 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -112.23 138.23 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.638 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.683 HD12 ' HE1' ' A' 1582 ' ' PHE . 32.6 pt -139.24 152.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.391 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 35.6 m -146.39 118.7 8.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.683 ' HE1' HD12 ' A' 1580 ' ' ILE . 92.7 m-85 -108.67 117.7 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.854 HG22 ' HG3' ' A' 1558 ' ' LYS . 50.9 pt -100.28 147.52 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.764 ' HE2' ' HA ' ' A' 1586 ' ' VAL . 6.3 ttpm? -131.17 155.05 47.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.763 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' 1586 ' ' VAL . 50.6 mtpt -92.0 22.09 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.768 HG12 HG23 ' A' 1557 ' ' VAL . 2.3 m 48.68 18.42 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.976 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1587 ' ' THR . . . . . 0.541 HG23 ' O ' ' A' 1585 ' ' LYS . 47.2 p -93.52 -31.51 14.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.344 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.652 ' HB2' ' HD2' ' A' 1584 ' ' LYS . 73.6 m -62.91 153.34 33.77 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.225 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 59.0 m -128.52 -28.32 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.055 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 7.0 t30 -88.89 -28.78 20.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.518 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -77.72 106.06 9.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.195 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -134.44 120.28 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.7 mt -98.48 170.63 8.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 78.6 t -132.09 133.09 60.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -67.72 132.58 47.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 64.64 75.62 0.37 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.706 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.551 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 31.4 ttm180 -169.91 143.1 2.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -83.52 122.29 28.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.386 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.551 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 57.6 m-85 -128.18 142.9 51.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.367 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' 1543 ' ' TYR . 26.2 tp -80.69 125.48 30.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.659 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.555 HD12 HG21 ' A' 1545 ' ' VAL . 30.4 mt -127.47 134.34 65.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.469 0.652 . . . . 0.0 112.532 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.561 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 79.1 mtp -140.57 93.36 2.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.337 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . -133.36 157.63 22.81 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.451 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.495 ' HA ' ' N ' ' A' 1540 ' ' ALA . 0.0 OUTLIER -64.0 -174.84 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.04 0.448 . . . . 0.0 111.876 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.589 ' HG3' ' HB2' ' A' 1572 ' ' ALA . 35.6 tt0 -69.1 157.93 35.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.011 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.457 ' C ' HD22 ' A' 1607 ' ' LEU . . . -75.03 -177.86 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.484 ' N ' HD22 ' A' 1607 ' ' LEU . 3.0 mm? -120.99 123.92 43.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 53.6 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.47 179.627 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.669 0.271 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.502 HD12 HD13 ' A' 1583 ' ' ILE . 44.0 pt -60.72 141.83 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.709 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' 1582 ' ' PHE . 57.1 m-85 -90.44 132.16 36.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.179 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.32 -165.06 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.627 2.218 . . . . 0.0 112.223 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.644 HD23 ' HB2' ' A' 1584 ' ' LYS . 53.0 tp -152.65 101.34 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.533 ' O ' ' HA2' ' A' 1515 ' ' GLY . 10.0 m-20 -130.55 -170.0 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 62.6 p -74.0 -30.5 62.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.785 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.518 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.5 pt? -66.14 -13.74 60.66 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 110.82 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.434 HG22 HG13 ' A' 1627 ' ' ILE . 73.0 m -68.94 115.39 8.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.561 ' HB3' ' HB2' ' A' 1602 ' ' MET . 62.5 t-105 -83.68 113.8 21.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.554 ' HA ' ' O ' ' A' 1600 ' ' LEU . 68.0 mt -131.13 129.83 63.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -148.95 118.67 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.445 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 74.9 t80 -50.46 138.0 18.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.443 ' CZ3' HD23 ' A' 1646 ' ' LEU . 9.9 t-105 -106.19 117.02 58.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.99 114.67 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.684 2.256 . . . . 0.0 112.618 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -60.42 -33.12 72.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -134.8 -169.28 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.022 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.713 HG22 HD12 ' A' 1643 ' ' LEU . 69.8 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.256 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.649 ' HB2' ' HB ' ' A' 1634 ' ' THR . 33.9 tt0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.361 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.09 -21.76 61.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.299 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.45 ' O ' HD13 ' A' 1646 ' ' LEU . 34.4 t80 -84.03 -42.86 15.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.713 HD12 HG22 ' A' 1634 ' ' THR . 80.3 mt -73.88 3.03 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.21 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.62 -28.7 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.636 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -89.75 -39.36 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.566 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.553 HD12 HH22 ' A' 1530 ' ' ARG . 8.3 mp -70.61 -22.24 62.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.62 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.45 -45.64 91.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.18 -42.79 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.636 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.518 ' O ' HG22 ' A' 1653 ' ' ILE . 70.3 t80 -57.68 -35.71 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.812 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.66 -64.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.201 0.524 . . . . 0.0 111.463 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -69.73 -3.27 14.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.683 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -85.29 -72.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.547 HD13 ' HE3' ' A' 1531 ' ' LYS . 5.2 tp -57.43 -30.85 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 63.3 t80 -69.89 -53.59 17.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.6 tt -84.07 -68.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -60.81 -74.74 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.195 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.489 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.88 128.99 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.518 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.839 0.352 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.509 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 19.2 p -110.38 29.54 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.296 0.57 . . . . 0.0 110.315 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.706 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 152.2 73.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.148 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -51.38 103.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.836 0.351 . . . . 0.0 110.949 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 64.9 mtt -83.31 146.32 28.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.11 158.03 36.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.677 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 45.6 mt-10 -61.81 149.99 38.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.74 134.22 34.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 95.5 mt 58.44 19.09 6.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.264 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.677 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 30.0 t70 -64.41 100.6 0.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.433 HD23 ' HD1' ' A' 1642 ' ' PHE . 64.3 mt -93.4 92.8 7.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.217 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.9 t -178.05 -8.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.051 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.22 143.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 81.2 p -83.96 -179.91 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -99.2 0.49 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -98.02 -19.83 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.008 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 56.1 m -76.08 -33.22 59.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.414 ' NH1' HD23 ' A' 1646 ' ' LEU . 4.6 ptp180 -95.85 14.38 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.454 ' HD3' ' C ' ' A' 1531 ' ' LYS . 7.3 tmtm? -119.91 -52.41 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -59.81 -26.04 65.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.69 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 45.3 m -81.97 -24.05 35.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.75 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.49 ' HB1' ' HD3' ' A' 1568 ' ' LYS . . . -64.43 -46.04 84.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1535 ' ' CYS . . . . . 0.724 ' HA ' ' HE2' ' A' 1568 ' ' LYS . 38.1 t -90.36 5.49 47.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.723 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.69 ' HE2' ' HA ' ' A' 1533 ' ' THR . 24.3 ttmm -61.07 138.76 94.31 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.769 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.76 -22.02 16.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.596 2.198 . . . . 0.0 112.416 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.515 ' H ' ' HG2' ' A' 1536 ' ' LYS . 40.2 tt0 -83.01 -31.2 27.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.897 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -97.37 117.26 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.006 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -82.36 -51.42 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.375 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.925 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.1 p90 -115.43 155.48 27.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.401 0.62 . . . . 0.0 112.199 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' 1568 ' ' LYS . . . -144.86 104.51 4.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.517 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.69 ' HB2' ' O ' ' A' 1565 ' ' ASP . 0.6 OUTLIER -155.27 -175.75 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.117 0.484 . . . . 0.0 112.231 -178.68 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.579 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 19.9 ptpt -119.05 139.38 51.83 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.641 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' 1563 ' ' LEU . 16.0 m -139.29 175.83 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.183 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.425 ' HB2' HD11 ' A' 1564 ' ' LEU . 11.2 t -146.02 124.28 12.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.729 HD13 ' HB2' ' A' 1561 ' ' ALA . 37.3 mm -62.8 144.89 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.684 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 82.3 p -131.55 -41.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.576 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 42.4 t -131.81 160.66 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.975 0.417 . . . . 0.0 111.329 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 73.0 mt -134.31 114.54 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.748 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1551 ' ' THR . . . . . 0.486 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 70.8 m -102.05 136.69 41.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.244 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 5.2 p -132.58 132.05 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.768 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -133.8 -54.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.976 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 7.4 p30 -145.22 -153.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.614 HG13 HG22 ' A' 1586 ' ' VAL . 52.4 t -53.54 -19.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.561 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.52 106.25 17.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' 1558 ' ' LYS . 31.8 t -81.54 155.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.616 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.779 ' HG2' HG22 ' A' 1583 ' ' ILE . 90.7 mttt -131.29 152.79 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 111.01 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -138.97 120.8 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.518 ' HB2' ' NZ ' ' A' 1560 ' ' LYS . 0.1 OUTLIER -97.18 106.81 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.226 179.52 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.729 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -118.07 170.79 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 111.641 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 8.2 m -114.38 135.29 54.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.974 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.928 ' HA ' HG12 ' A' 1545 ' ' VAL . 9.7 tp -77.46 95.5 4.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.4 mp -50.72 -50.76 54.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.565 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.69 ' O ' ' HB2' ' A' 1543 ' ' TYR . 12.8 t70 -164.58 154.77 14.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.871 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.788 HG12 HD21 ' A' 1563 ' ' LEU . 48.6 mt -104.88 125.93 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.538 ' HB2' ' O ' ' A' 1542 ' ' ALA . 83.7 m-85 -104.69 -23.62 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.724 ' HE2' ' HA ' ' A' 1535 ' ' CYS . 27.5 mtpp -149.49 122.67 8.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.437 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1569 ' ' THR . . . . . 0.586 HG22 ' H ' ' A' 1571 ' ' GLU . 4.5 m -45.96 155.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.127 0.489 . . . . 0.0 112.062 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.925 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -103.81 6.17 47.87 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.011 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.586 ' H ' HG22 ' A' 1569 ' ' THR . 14.0 mm-40 59.2 7.79 0.95 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.978 0.418 . . . . 0.0 110.737 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -138.76 81.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.542 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.452 ' O ' HG22 ' A' 1573 ' ' VAL . 7.3 p 41.17 39.93 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.847 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.594 ' HB1' HD13 ' A' 1566 ' ' ILE . . . -59.01 128.61 38.1 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.222 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.528 ' HB3' ' OG ' ' A' 1578 ' ' SER . 9.1 tp10 -142.07 156.4 45.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.973 0.416 . . . . 0.0 111.339 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -67.72 122.83 18.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.416 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.645 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.1 t70 63.96 51.21 2.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.05 0.452 . . . . 0.0 110.782 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.571 ' H ' ' HB3' ' A' 1563 ' ' LEU . 69.0 m -87.11 -170.22 2.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.599 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1579 ' ' GLU . . . . . 0.438 ' CD ' ' HD2' ' A' 1560 ' ' LYS . 9.0 tp10 -115.69 115.24 26.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.565 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.619 HD13 HG11 ' A' 1545 ' ' VAL . 37.4 pt -111.05 153.01 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.684 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.1 m -141.4 99.34 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.735 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.581 ' HE1' HD12 ' A' 1580 ' ' ILE . 56.9 m-85 -94.3 125.48 38.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 111.271 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.779 HG22 ' HG2' ' A' 1558 ' ' LYS . 42.0 pt -112.33 147.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.763 ' HB3' HD23 ' A' 1621 ' ' LEU . 21.8 pttm -145.72 -171.19 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -104.51 -177.03 3.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.643 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.614 HG22 HG13 ' A' 1555 ' ' VAL . 29.1 m -105.18 9.58 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.1 p -98.66 -0.93 41.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 13.6 m -60.97 153.88 23.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 58.3 m -138.28 -29.9 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 17.6 m120 -108.8 0.43 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.089 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -121.42 111.92 17.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -149.94 105.54 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.758 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' 1593 ' ' LEU . 4.0 mp -91.13 158.83 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.47 HG12 ' OH ' ' A' 1599 ' ' TYR . 9.9 p -142.76 140.03 27.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 22.9 pttm -71.17 136.6 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 108.15 -22.64 26.88 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.678 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -99.37 169.83 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.977 0.418 . . . . 0.0 111.346 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -109.39 145.57 35.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.716 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.47 ' OH ' HG12 ' A' 1594 ' ' VAL . 98.1 m-85 -143.5 144.2 31.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.009 0.433 . . . . 0.0 111.415 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' 1601 ' ' ILE . 5.2 tt -95.12 134.68 37.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.746 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.623 ' N ' HD23 ' A' 1600 ' ' LEU . 69.3 mt -127.91 132.85 68.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.088 0.471 . . . . 0.0 112.19 -179.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.681 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 66.3 mtp -149.6 110.65 4.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.064 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.897 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.59 -164.27 31.24 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 119.803 -1.189 . . . . 0.0 113.681 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.508 ' HE3' ' HG3' ' A' 1538 ' ' GLU . 34.1 mmtp -46.25 157.09 0.14 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 122.545 0.338 . . . . 0.0 111.565 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -69.23 -171.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.201 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . -104.65 140.34 38.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' 1617 ' ' TYR . 89.0 mt -66.41 147.73 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.606 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 -179.835 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1607 ' ' LEU . 2.3 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.814 0.34 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.462 ' O ' ' HB1' ' A' 1606 ' ' ALA . 2.8 pp -117.02 177.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.556 ' O ' ' HA ' ' A' 1582 ' ' PHE . 57.1 m-85 -128.09 128.72 23.73 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.191 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.44 157.72 22.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.666 2.244 . . . . 0.0 112.166 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.763 HD23 ' HB3' ' A' 1584 ' ' LYS . 48.7 tp -132.7 92.76 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.699 ' HB2' HD12 ' A' 1624 ' ' LEU . 10.2 m-20 -121.7 -167.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.706 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 77.5 p -78.8 -23.16 45.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.849 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.699 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -76.13 -8.6 57.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 -179.746 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.639 ' N ' HD13 ' A' 1624 ' ' LEU . 60.5 m -84.24 112.36 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.187 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.681 ' HB3' ' HB2' ' A' 1602 ' ' MET . 57.9 t-105 -64.28 119.72 10.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.746 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' 1600 ' ' LEU . 45.5 mm -126.81 120.58 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -134.95 115.27 13.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -54.05 134.23 43.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.745 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.434 ' CD1' HD11 ' A' 1643 ' ' LEU . 13.5 t-105 -106.03 101.77 35.74 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.646 ' HB2' HD13 ' A' 1643 ' ' LEU . 72.9 Cg_exo -48.7 118.86 3.69 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.679 2.252 . . . . 0.0 112.599 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -91.7 -0.1 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -97.94 128.49 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.312 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.795 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 49.7 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -58.33 -28.1 64.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.541 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 52.9 t80 -88.44 -30.84 19.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.759 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.768 HD12 HD12 ' A' 1646 ' ' LEU . 1.1 tp -75.91 -6.11 49.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -81.4 -33.45 32.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -80.2 -28.46 38.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.444 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.768 HD12 HD12 ' A' 1643 ' ' LEU . 95.9 mt -70.68 -31.02 67.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.527 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.16 -36.64 80.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.15 -49.4 77.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.604 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' 1653 ' ' ILE . 62.3 t80 -63.77 -34.96 79.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.765 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.97 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.208 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -103.69 -4.5 23.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.7 t70 -89.26 -18.21 27.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.96 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' 1649 ' ' PHE . 20.0 tt -112.01 -27.69 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.8 t80 -74.32 -46.02 43.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' 1655 ' ' LEU . 5.9 tt -78.51 -45.54 21.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.553 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.0 m-20 -85.63 -74.5 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.286 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.01 158.84 21.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.437 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.889 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.726 0.298 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' 1588 ' ' CYS . 8.7 t 54.92 30.96 14.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.395 0.617 . . . . 0.0 110.287 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 123.84 55.93 0.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.048 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -52.47 132.19 34.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.869 0.366 . . . . 0.0 111.299 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' 1515 ' ' GLY . 66.3 mtt -128.96 133.5 47.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -61.82 150.25 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.29 172.48 2.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.08 119.25 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 90.3 mt 60.29 99.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.232 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.68 104.66 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.527 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.508 HD23 ' HD1' ' A' 1642 ' ' PHE . 65.6 mt -83.32 17.17 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 54.4 p -90.9 2.42 56.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.8 mt -123.87 138.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.0 m -89.64 167.71 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1527 ' ' ALA . . . . . 0.689 ' HA ' HH11 ' A' 1530 ' ' ARG . . . -70.22 -32.77 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.181 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -85.81 -2.79 58.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 91.8 m -74.71 -49.41 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.753 ' HD2' ' H ' ' A' 1530 ' ' ARG . 0.0 OUTLIER -83.02 -15.24 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.729 ' HE3' HD13 ' A' 1653 ' ' ILE . 21.2 tptm -68.32 -31.27 70.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.6 mm-40 -59.51 -15.48 18.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.692 HG22 HG13 ' A' 1539 ' ' ILE . 88.9 m -89.28 -41.55 12.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.926 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.42 ' HB2' ' CE ' ' A' 1602 ' ' MET . . . -67.6 -7.12 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.553 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 44.3 t -101.88 -17.27 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.113 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.9 mtmt -63.41 142.92 97.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.34 -30.4 87.61 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.599 2.2 . . . . 0.0 112.452 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.5 ' HG3' ' H ' ' A' 1539 ' ' ILE . 7.9 pt-20 -63.68 -55.72 21.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.692 HG13 HG22 ' A' 1533 ' ' THR . 41.5 mm -62.68 111.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.465 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -84.81 -58.35 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.483 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.42 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 2.0 p90 -105.91 156.95 17.85 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.303 0.573 . . . . 0.0 112.107 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.66 101.11 2.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.821 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.646 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.1 p90 -152.55 169.73 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.139 0.495 . . . . 0.0 111.976 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.675 ' HG2' HD12 ' A' 1564 ' ' LEU . 37.6 ttpt -99.64 140.15 34.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.409 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' 1563 ' ' LEU . 18.8 m -136.56 -177.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.979 0.419 . . . . 0.0 111.547 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.551 ' HB2' HD11 ' A' 1564 ' ' LEU . 20.8 t -155.04 120.92 5.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.602 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.594 HD13 ' HB2' ' A' 1561 ' ' ALA . 35.2 mm -56.7 134.74 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1548 ' ' THR . . . . . 0.499 ' O ' ' HE2' ' A' 1595 ' ' LYS . 39.1 p -129.19 -16.95 3.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.507 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 63.8 m -154.01 144.78 22.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 0.0 111.36 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.0 mt -137.54 128.76 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.832 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 63.3 m -133.68 141.21 47.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.5 p -123.93 140.09 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -107.8 -74.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.7 m120 -142.97 -73.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 39.3 t -102.42 -45.77 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -89.36 158.55 17.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 44.7 t -128.55 140.1 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.271 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.677 ' HD3' HG22 ' A' 1583 ' ' ILE . 23.0 mmtp -104.88 124.27 49.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.795 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' 1582 ' ' PHE . 96.3 m-85 -116.13 113.26 22.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.337 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' 1579 ' ' GLU . 18.9 mmtt -93.4 99.91 12.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -108.33 146.77 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.433 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 12.5 m -97.29 132.88 42.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.039 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.861 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.4 tt -73.14 101.48 3.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.431 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.675 HD12 ' HG2' ' A' 1544 ' ' LYS . 83.8 mt -57.93 -44.05 86.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.168 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.581 ' O ' ' HB2' ' A' 1543 ' ' TYR . 14.3 t70 -170.15 150.58 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.58 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.646 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 67.1 mt -97.2 138.16 22.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.575 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 43.7 m-85 -116.65 -20.13 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.0 tmtt? -155.55 99.79 2.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.252 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 89.5 m -40.84 141.81 0.54 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.301 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.772 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -90.34 132.65 11.39 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.012 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.64 -22.44 63.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.815 0.34 . . . . 0.0 110.955 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -73.18 -89.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.321 0.581 . . . . 0.0 110.798 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' 1573 ' ' VAL . 8.7 p -155.17 35.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.767 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.772 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -67.27 123.6 20.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' 1578 ' ' SER . 46.9 mt-10 -134.86 158.29 44.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 62.2 tttm -58.42 134.05 56.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.684 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.636 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.1 p30 44.88 36.26 1.82 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.603 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.545 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 79.0 p -82.65 -165.97 1.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1579 ' ' GLU . . . . . 0.5 ' HB3' ' NZ ' ' A' 1560 ' ' LYS . 42.6 mt-10 -121.41 122.92 40.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.792 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.771 HD11 HG11 ' A' 1545 ' ' VAL . 8.5 pt -125.73 136.9 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 9.1 m -110.85 105.96 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.632 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.656 ' HB3' HD11 ' A' 1621 ' ' LEU . 35.8 m-85 -102.64 119.76 39.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.282 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.677 HG22 ' HD3' ' A' 1558 ' ' LYS . 29.4 pt -102.2 149.52 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.952 0.406 . . . . 0.0 111.466 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' A' 1592 ' ' GLU . 36.6 ttpt -141.29 147.58 38.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.787 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.462 ' NZ ' ' HB2' ' A' 1585 ' ' LYS . 10.6 mtmp? -86.53 140.8 29.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.7 p -72.1 -7.12 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.023 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 75.8 p -76.84 -12.48 59.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.441 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' 1514 ' ' CYS . 56.6 m -66.85 178.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 0.0 111.015 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 74.9 m -145.8 -43.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 18.9 m120 -86.56 4.42 40.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -116.85 129.55 56.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1592 ' ' GLU . . . . . 0.445 ' HA ' ' NZ ' ' A' 1584 ' ' LYS . 40.9 tt0 -163.53 102.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' 1593 ' ' LEU . 4.4 mp -88.43 164.41 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.515 HG12 ' OH ' ' A' 1599 ' ' TYR . 12.2 p -144.42 146.7 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.499 ' HE2' ' O ' ' A' 1548 ' ' THR . 57.9 tttm -80.58 134.78 35.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 104.99 -16.02 47.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.714 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.419 ' HB2' HG13 ' A' 1594 ' ' VAL . 10.9 mpt_? -99.48 172.7 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.969 0.414 . . . . 0.0 111.376 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -114.41 146.98 39.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.819 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.515 ' OH ' HG12 ' A' 1594 ' ' VAL . 96.8 m-85 -142.08 127.54 18.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.287 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' 1543 ' ' TYR . 56.9 tp -82.78 107.79 15.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.985 179.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' A' 1582 ' ' PHE . 58.7 mt -95.2 132.96 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.266 0.555 . . . . 0.0 112.056 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.42 ' CE ' ' HB2' ' A' 1534 ' ' ALA . 61.8 mtp -147.55 107.98 4.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.802 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.583 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -158.42 -174.85 28.66 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.116 -1.04 . . . . 0.0 113.523 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.465 ' HA ' ' H ' ' A' 1540 ' ' ALA . 12.5 mtmt -62.31 -172.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.114 0.483 . . . . 0.0 111.495 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -74.71 148.17 40.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.436 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -74.45 152.4 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.52 HD23 ' HD3' ' A' 1620 ' ' PRO . 3.9 mm? -63.78 -168.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 22.9 pt20 . . . . . 0 N--CA 1.447 -0.595 0 CA-C-O 121.169 0.509 . . . . 0.0 111.826 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.798 0.333 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 43.5 pt -106.64 177.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 14.6 m-85 -125.73 114.58 24.8 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.808 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1620 ' ' PRO . . . . . 0.52 ' HD3' HD23 ' A' 1607 ' ' LEU . 73.5 Cg_endo -75.54 167.08 27.28 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.665 2.244 . . . . 0.0 112.826 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.656 HD11 ' HB3' ' A' 1582 ' ' PHE . 82.6 mt -145.62 100.19 3.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.76 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -114.94 -76.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.416 ' H ' ' H ' ' A' 1624 ' ' LEU . 73.1 p -169.18 -19.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' 1625 ' ' THR . 0.0 OUTLIER -73.96 -11.72 60.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.565 ' N ' HD13 ' A' 1624 ' ' LEU . 69.1 m -91.52 113.46 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -66.23 123.25 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 64.9 mt -124.45 126.84 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.792 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.36 113.21 10.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.862 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 74.8 t80 -55.22 134.71 49.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -104.6 106.83 56.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.607 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.658 ' HB2' HD11 ' A' 1643 ' ' LEU . 59.2 Cg_exo -51.88 109.88 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.527 2.151 . . . . 0.0 112.409 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -82.11 -30.97 30.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -72.51 114.37 10.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.59 ' HA ' HD23 ' A' 1643 ' ' LEU . 36.1 tt0 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.942 0.401 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -149.28 -33.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.756 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.508 ' HD1' HD23 ' A' 1523 ' ' LEU . 88.5 t80 -91.08 -20.78 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.679 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.6 mm? -67.97 -35.79 78.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.65 75.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -74.92 -19.21 60.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' 1643 ' ' LEU . 96.6 mt -79.97 -33.42 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -60.84 -32.33 71.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.678 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -66.38 -32.07 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.422 ' O ' HG22 ' A' 1653 ' ' ILE . 80.8 t80 -69.71 -28.01 65.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -67.09 -49.02 66.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.318 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -80.05 -4.39 52.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.123 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.531 ' O ' ' HB2' ' A' 1656 ' ' ASN . 18.5 t70 -95.58 -16.3 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.729 HD13 ' HE3' ' A' 1531 ' ' LYS . 6.9 tp -105.33 -28.81 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.035 0.445 . . . . 0.0 110.684 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.3 t80 -81.66 -44.3 17.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.29 -70.29 0.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' 1652 ' ' ASP . 12.1 m120 -58.04 -59.35 5.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.513 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 60.14 42.31 98.5 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.384 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.224 -179.716 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.636 ' O ' ' HB3' ' A' 1590 ' ' ASN . 3.7 p-10 . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 111.414 0.153 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.611 ' HB2' ' HA ' ' A' 1588 ' ' CYS . 12.0 t 53.73 -153.9 0.26 Allowed 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . -61.88 80.63 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.158 -1.02 . . . . 0.0 111.377 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' 1514 ' ' CYS . 3.5 pp0? -47.22 139.23 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 111.119 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.54 ' HG2' ' HB ' ' A' 1627 ' ' ILE . 63.9 mtt -124.38 141.84 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -81.94 171.21 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.34 176.06 1.96 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.97 -85.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 74.6 mt -105.98 99.76 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -147.94 96.68 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.598 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 36.1 mt -70.69 100.56 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1524 ' ' THR . . . . . 0.401 ' H ' ' H ' ' A' 1525 ' ' ILE . 7.5 t -168.47 -21.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.401 ' H ' ' H ' ' A' 1524 ' ' THR . 64.9 mt -89.78 133.44 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.5 t -77.03 157.71 30.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.42 -14.8 58.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -87.44 -33.89 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 46.2 m -59.22 -25.19 63.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -91.08 -41.09 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.55 ' HD3' ' O ' ' A' 1531 ' ' LYS . 11.8 tmtt? -61.87 -37.84 86.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.066 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' 1528 ' ' GLU . 30.3 mm-40 -58.97 -17.84 28.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.781 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.689 ' HA ' ' HG3' ' A' 1536 ' ' LYS . 37.6 m -85.97 -26.84 25.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -70.75 1.82 4.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.454 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 39.5 t -126.91 -3.72 6.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.689 ' HG3' ' HA ' ' A' 1533 ' ' THR . 98.4 mttt -64.28 151.2 91.33 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.38 -27.65 47.2 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.54 2.16 . . . . 0.0 112.236 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.427 ' O ' HD13 ' A' 1539 ' ' ILE . 11.5 pt-20 -85.55 9.52 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.777 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.512 HD12 ' HA2' ' A' 1603 ' ' GLY . 34.8 mm -124.85 120.44 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -90.55 -61.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.726 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.935 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.6 p90 -108.28 159.71 16.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.282 0.563 . . . . 0.0 112.206 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.579 ' HA ' ' HG2' ' A' 1602 ' ' MET . . . -144.96 90.6 2.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.815 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.803 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.2 p90 -144.28 -171.85 3.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.257 0.551 . . . . 0.0 112.068 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -132.81 132.42 42.17 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.029 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.858 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.9 m -127.86 -177.35 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.068 0.461 . . . . 0.0 111.724 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 22.5 t -141.77 123.64 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.483 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.444 HD11 HD13 ' A' 1593 ' ' LEU . 38.3 mm -61.3 135.83 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 44.2 p -132.42 -31.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.25 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.591 ' HA ' ' HE2' ' A' 1595 ' ' LYS . 73.4 m -140.73 141.34 34.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 72.4 mt -131.51 125.48 56.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.849 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.3 m -128.68 136.74 51.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.604 HG22 HG23 ' A' 1557 ' ' VAL . 38.2 t -118.12 128.73 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.051 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -90.71 -68.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1554 ' ' ASN . . . . . 0.502 ' ND2' HG23 ' A' 1555 ' ' VAL . 10.5 t30 -163.37 -71.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.874 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.502 HG23 ' ND2' ' A' 1554 ' ' ASN . 39.7 t -99.94 -43.01 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -101.73 112.25 24.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.796 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.604 HG23 HG22 ' A' 1552 ' ' VAL . 10.1 p -84.94 151.36 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.458 ' HB2' ' NZ ' ' A' 1558 ' ' LYS . 10.5 mtmp? -124.81 149.65 47.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.383 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -133.29 106.82 7.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.435 ' HG2' HG23 ' A' 1581 ' ' THR . 60.9 mttp -88.08 121.65 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -136.79 167.39 21.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.33 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.9 m -104.57 141.29 36.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.184 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.858 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.4 mt -73.63 124.65 26.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.974 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.8 mp -88.48 -35.68 16.88 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.315 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.5 t70 -174.29 130.46 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.803 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 68.5 mt -103.9 120.32 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.818 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -92.68 -25.57 18.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.353 0.597 . . . . 0.0 109.647 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 62.2 tttp -141.13 116.84 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.56 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 20.3 m -45.88 149.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 111.916 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.935 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -86.56 16.81 43.12 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.969 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 55.99 9.42 0.46 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.2 0.524 . . . . 0.0 110.26 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -136.4 -148.14 0.28 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.8 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.472 ' O ' HG22 ' A' 1573 ' ' VAL . 7.7 p -77.96 34.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.206 0.527 . . . . 0.0 111.272 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.71 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -82.48 125.29 30.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.257 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.403 ' C ' HD12 ' A' 1566 ' ' ILE . 15.8 mm-40 -148.58 163.11 38.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.047 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 61.1 tttm -52.96 106.52 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.694 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.7 t70 64.83 82.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.857 ' H ' ' HB2' ' A' 1563 ' ' LEU . 54.8 m -129.18 -174.33 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.407 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -108.72 115.09 29.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 110.431 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.701 HD11 HG11 ' A' 1545 ' ' VAL . 8.9 pt -127.22 137.49 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.442 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1581 ' ' THR . . . . . 0.435 HG23 ' HG2' ' A' 1560 ' ' LYS . 35.1 m -115.42 113.62 23.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.072 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.457 ' HE1' HD12 ' A' 1580 ' ' ILE . 39.9 m-85 -87.65 174.15 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.689 HG23 ' HA ' ' A' 1620 ' ' PRO . 9.0 tt -153.95 107.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.793 ' HB2' HD12 ' A' 1621 ' ' LEU . 39.0 ttpt -96.15 148.78 22.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.454 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 75.9 mmtt -75.28 -177.77 3.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' 1555 ' ' VAL . 9.7 p -99.31 -27.2 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 69.6 p -72.45 -10.99 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.611 ' HA ' ' HB2' ' A' 1514 ' ' CYS . 57.3 m -60.43 121.83 13.07 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1589 ' ' THR . . . . . 0.473 ' O ' HG22 ' A' 1589 ' ' THR . 8.8 m -121.23 7.1 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.403 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.636 ' HB3' ' O ' ' A' 1513 ' ' ASP . 2.9 t-20 -130.11 -21.73 2.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.178 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -89.07 122.45 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.286 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.59 142.61 23.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.444 HD13 HD11 ' A' 1547 ' ' ILE . 93.8 mt -132.56 163.49 28.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.75 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 59.2 t -132.41 140.04 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.834 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.3 ttmt -72.76 125.81 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 103.36 -5.53 48.89 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.734 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.75 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 90.8 mtt180 -101.0 173.11 6.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.058 0.456 . . . . 0.0 111.396 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -120.97 137.2 54.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.75 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -139.41 145.86 39.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.442 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' 1627 ' ' ILE . 51.5 tp -90.63 120.01 31.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.912 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.559 HG22 ' HE1' ' A' 1541 ' ' TYR . 61.7 mt -114.84 134.58 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.066 0.46 . . . . 0.0 112.015 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.579 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 66.8 mtp -148.87 111.49 4.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.111 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.512 ' HA2' HD12 ' A' 1539 ' ' ILE . . . 178.47 -169.61 41.31 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.083 -1.056 . . . . 0.0 113.294 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.495 ' HB3' ' NZ ' ' A' 1604 ' ' LYS . 4.2 mmmp? -50.61 154.99 1.19 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.902 0.382 . . . . 0.0 111.551 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 13.6 pt-20 -78.3 -169.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.245 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.427 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -85.12 156.77 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.084 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' 1617 ' ' TYR . 3.8 mm? -88.5 130.08 35.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.485 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 64.8 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.485 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 1.9 m-85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.735 0.302 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 1.7 mt -112.44 148.75 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 111.34 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 53.7 m-85 -102.11 104.54 37.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.65 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1620 ' ' PRO . . . . . 0.689 ' HA ' HG23 ' A' 1583 ' ' ILE . 54.4 Cg_endo -68.12 171.54 12.41 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.495 2.13 . . . . 0.0 112.137 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.793 HD12 ' HB2' ' A' 1584 ' ' LYS . 94.7 mt -136.81 96.83 3.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.487 ' HB2' ' HG ' ' A' 1624 ' ' LEU . 10.0 m-20 -118.95 -178.99 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.584 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' 1514 ' ' CYS . 56.0 p -61.82 -10.27 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' 1622 ' ' ASP . 2.2 pp -90.52 10.26 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.5 m -107.3 137.05 46.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.996 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' A' 1601 ' ' ILE . 65.2 t-105 -103.9 115.44 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.54 ' HB ' ' HG2' ' A' 1517 ' ' MET . 68.7 mt -132.11 118.26 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -128.1 141.2 51.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.57 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 58.4 t80 -65.59 136.18 56.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -109.51 112.96 58.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.55 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.529 ' HB2' HD21 ' A' 1643 ' ' LEU . 55.3 Cg_exo -52.5 116.45 2.86 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.592 2.194 . . . . 0.0 112.316 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -84.75 -31.92 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.045 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.16 113.19 15.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.844 ' HA ' HD23 ' A' 1643 ' ' LEU . 30.4 mt-30 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.874 0.368 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.18 -53.54 43.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 62.8 t80 -65.71 -31.48 72.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.844 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -69.81 -22.96 63.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.747 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.93 63.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.06 -23.28 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.57 -23.38 32.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.31 -40.63 96.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.6 -18.09 62.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.701 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.507 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 58.7 t80 -84.61 -39.6 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.072 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.18 13.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.413 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.17 -31.82 70.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.326 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.75 -68.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.447 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.539 HD13 ' HE2' ' A' 1531 ' ' LYS . 7.9 tp -55.97 -30.13 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.73 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 58.5 t80 -76.66 -48.82 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.931 0.396 . . . . 0.0 111.352 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.03 -67.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.107 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -61.41 -74.78 0.08 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.394 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 76.37 157.17 7.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.357 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1658 ' ' CYS . . . . . 0.517 ' HB2' ' NZ ' ' A' 1531 ' ' LYS . 49.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.609 0.243 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' 1588 ' ' CYS . 3.6 p -48.06 120.8 3.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.388 . . . . 0.0 110.438 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 74.89 34.9 51.88 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.67 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.596 ' HG3' ' HA ' ' A' 1623 ' ' SER . 4.2 pp0? -54.32 160.14 1.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.19 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 15.5 ptp -135.51 138.47 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -71.26 178.19 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.92 153.29 29.63 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1520 ' ' GLU . . . . . 0.505 ' HG3' ' HD2' ' A' 1629 ' ' TYR . 41.0 tt0 -71.61 -33.7 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 93.4 mt -147.7 105.21 3.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -142.66 129.52 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 90.3 mt -91.89 10.97 26.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 72.3 p -77.13 -9.52 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 65.4 mt -111.77 129.41 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.5 m -103.15 -178.19 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -85.42 0.18 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.9 mt-10 -105.31 -52.91 2.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 34.5 m -62.5 -19.5 63.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -95.13 -25.49 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.3 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.529 ' HD3' ' O ' ' A' 1531 ' ' LYS . 3.3 tmtp? -81.79 -45.3 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' 1528 ' ' GLU . 17.0 mm-40 -54.49 -26.17 29.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.784 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.794 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 91.8 m -81.54 -33.17 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -69.69 -9.87 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.2 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 50.7 t -98.43 -25.31 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.794 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.3 mtmt -63.1 155.14 74.7 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1537 ' ' PRO . . . . . 0.455 ' HG2' ' OE1' ' A' 1538 ' ' GLU . 29.0 Cg_endo -63.2 -12.26 29.32 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.483 2.122 . . . . 0.0 112.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.455 ' OE1' ' HG2' ' A' 1537 ' ' PRO . 0.3 OUTLIER -69.27 -22.87 63.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.451 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.585 HG21 ' HG2' ' A' 1602 ' ' MET . 13.4 mm -118.84 111.39 33.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.416 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -79.3 -53.28 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.001 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.477 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 3.3 p90 -116.76 155.86 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 111.589 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.41 ' HB3' ' CB ' ' A' 1568 ' ' LYS . . . -145.82 100.58 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.086 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.761 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 12.6 p90 -150.84 -179.07 6.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.293 0.568 . . . . 0.0 112.013 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' 1564 ' ' LEU . 60.2 tttm -123.08 136.95 55.02 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.484 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.826 HG12 ' HA ' ' A' 1563 ' ' LEU . 11.6 m -132.56 -175.91 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 18.0 t -145.5 127.86 15.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.5 mm -66.6 137.6 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1548 ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' 1561 ' ' ALA . 4.2 t -130.38 -18.02 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.465 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.828 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 49.5 m -152.04 144.34 24.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.521 HG13 ' HB3' ' A' 1595 ' ' LYS . 77.3 mt -131.25 138.15 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.2 m -135.38 109.03 7.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 33.7 t -95.77 122.68 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1553 ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' 1556 ' ' PHE . 38.7 tt0 -106.62 163.49 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1554 ' ' ASN . . . . . 0.408 ' N ' ' HG2' ' A' 1553 ' ' GLU . 34.4 m-80 -58.3 -18.52 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.331 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 71.8 t -126.41 -76.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.415 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.454 ' O ' ' HB3' ' A' 1553 ' ' GLU . 97.0 m-85 -82.73 178.19 8.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.348 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.561 ' HB ' ' HG2' ' A' 1584 ' ' LYS . 11.8 t -136.59 111.66 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' 1558 ' ' LYS . 0.8 OUTLIER -90.42 124.11 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.674 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.479 ' HE2' ' HE3' ' A' 1584 ' ' LYS . 37.3 m-85 -114.41 114.76 26.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.89 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.828 ' HB3' ' HB2' ' A' 1549 ' ' SER . 42.6 tptt -97.98 115.53 28.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.428 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' 1548 ' ' THR . . . -135.62 165.79 24.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 0.0 111.541 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -114.87 135.52 54.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.852 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.826 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.3 tt -70.25 134.5 48.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.597 HD13 ' HA ' ' A' 1545 ' ' VAL . 8.9 mp -91.8 -50.55 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.788 0.328 . . . . 0.0 110.813 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.3 t70 -164.61 141.22 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.644 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.761 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.0 mt -99.18 121.99 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 111.922 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.623 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 95.5 m-85 -93.74 -19.68 20.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.558 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.41 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 6.9 tmtm? -149.72 110.21 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.685 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 88.2 m -43.69 145.51 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.1 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.816 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -103.84 135.17 12.26 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.311 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.79 -30.33 63.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.708 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -84.95 56.94 4.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.284 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' 1573 ' ' VAL . 7.4 p 38.68 75.27 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.689 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.816 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -93.72 137.04 33.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.583 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -139.98 143.68 36.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.695 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.37 129.02 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.725 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.716 ' HA ' ' O ' ' A' 1563 ' ' LEU . 16.3 t70 64.39 38.7 7.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.464 ' H ' ' HB3' ' A' 1563 ' ' LEU . 24.4 t -87.44 -167.25 1.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.473 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -110.74 129.94 55.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.654 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.747 HD12 ' HE1' ' A' 1582 ' ' PHE . 35.9 pt -128.26 145.02 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.581 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 21.9 m -137.27 100.91 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.826 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.747 ' HE1' HD12 ' A' 1580 ' ' ILE . 81.6 m-85 -93.2 121.01 34.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.021 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' 1557 ' ' VAL . 41.1 pt -112.27 144.71 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.608 ' HE2' HD13 ' A' 1621 ' ' LEU . 19.5 ptpt -141.88 -169.08 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.528 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.2 OUTLIER -109.2 176.92 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.687 179.537 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.1 p -78.01 -25.57 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.301 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.1 p -75.51 -8.84 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.39 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.606 ' HB2' ' HD3' ' A' 1584 ' ' LYS . 17.9 m -81.99 35.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.132 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 37.8 m -59.91 -22.43 62.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -54.76 -30.31 56.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -103.0 120.94 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.78 99.51 4.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' 1593 ' ' LEU . 3.9 mp -95.71 174.99 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.589 ' HB ' ' HD3' ' A' 1597 ' ' ARG . 49.1 t -133.4 136.4 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.521 ' HB3' HG13 ' A' 1550 ' ' ILE . 13.3 ptmm? -70.03 116.3 10.24 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 117.18 -8.07 16.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.589 ' HD3' ' HB ' ' A' 1594 ' ' VAL . 10.6 mpt_? -94.56 173.3 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.411 . . . . 0.0 111.18 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.605 ' HG3' HH21 ' A' 1632 ' ' ARG . 96.6 mt-30 -112.58 133.47 54.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -133.54 149.97 51.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.364 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' 1601 ' ' ILE . 2.2 tm? -95.82 130.82 42.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.984 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.794 HD13 HG22 ' A' 1545 ' ' VAL . 2.2 mp -120.84 131.78 72.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.029 0.443 . . . . 0.0 111.354 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.585 ' HG2' HG21 ' A' 1539 ' ' ILE . 3.7 ttp -152.7 129.19 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.442 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.567 ' N ' HG23 ' A' 1539 ' ' ILE . . . 163.0 -168.93 38.0 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 119.937 -1.125 . . . . 0.0 113.494 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -53.87 154.85 3.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.853 0.358 . . . . 0.0 111.201 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.55 172.57 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -80.93 -177.57 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.32 -171.91 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.423 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.729 0.299 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 44.7 pt -135.26 142.79 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' 1582 ' ' PHE . 49.3 m-85 -93.81 127.45 45.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.159 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -80.61 -177.66 3.91 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.619 2.213 . . . . 0.0 112.414 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.608 HD13 ' HE2' ' A' 1584 ' ' LYS . 74.1 mt -145.74 99.62 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.778 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -126.57 -171.63 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.596 ' HA ' ' HG3' ' A' 1516 ' ' GLN . 79.1 p -75.2 -5.28 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.5 pp -92.85 -31.69 14.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.685 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.454 ' O ' HG12 ' A' 1627 ' ' ILE . 39.0 m -58.1 98.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.028 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -61.79 109.93 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' 1625 ' ' THR . 49.6 mm -113.14 134.73 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.757 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.413 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 0.7 OUTLIER -147.32 100.23 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.953 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.533 ' O ' ' HD3' ' A' 1631 ' ' PRO . 43.3 t80 -58.0 120.44 8.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -89.19 106.8 14.62 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.264 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.758 ' HB2' HD21 ' A' 1643 ' ' LEU . 52.1 Cg_exo -52.51 99.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.505 2.137 . . . . 0.0 112.528 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.605 HH21 ' HG3' ' A' 1598 ' ' GLN . 28.0 ttm180 -62.26 -36.0 80.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.723 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.65 117.12 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.846 HG22 HD13 ' A' 1643 ' ' LEU . 30.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' 1643 ' ' LEU . 9.0 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.725 0.298 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.0 -62.19 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 80.6 t80 -73.98 -6.54 48.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.434 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.846 HD13 HG22 ' A' 1634 ' ' THR . 49.7 mt -95.65 5.29 51.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.843 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -103.31 -48.0 4.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -62.27 -30.17 70.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.736 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.13 -30.86 70.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.63 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.0 -30.95 71.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.61 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1648 ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' 1652 ' ' ASP . 13.4 mm-40 -80.16 3.08 21.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.737 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.43 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 83.4 t80 -118.06 -29.56 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.679 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -63.85 -65.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -72.15 -12.68 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.975 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' 1648 ' ' GLU . 17.2 t70 -66.85 -70.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.522 HD12 ' HE3' ' A' 1531 ' ' LYS . 17.3 tt -62.94 -28.0 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.964 0.411 . . . . 0.0 110.834 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.3 t80 -63.95 -50.59 68.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.713 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.438 HD23 ' C ' ' A' 1655 ' ' LEU . 6.8 tt -83.82 -64.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.487 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -60.65 -74.67 0.07 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 71.65 136.81 0.18 Allowed Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.476 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.858 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' 1590 ' ' ASN . 9.0 m-20 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.51 0.195 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' 1516 ' ' GLN . 0.7 OUTLIER 54.33 -146.71 0.54 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.157 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.513 ' HA2' ' C ' ' A' 1622 ' ' ASP . . . -55.55 82.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.298 -0.953 . . . . 0.0 111.518 178.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' 1514 ' ' CYS . 64.3 tt0 -43.11 129.72 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.928 0.394 . . . . 0.0 111.586 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 26.2 mmt -120.34 141.04 50.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.847 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.83 153.82 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.65 147.88 50.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -84.12 149.08 26.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' 1631 ' ' PRO . 8.1 mp 54.56 29.95 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.338 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.91 74.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.88 91.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.227 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.3 t -176.37 -11.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.798 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.61 130.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 49.8 m -73.06 165.66 24.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -72.38 -10.59 59.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.9 mt-10 -107.35 -26.65 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 43.5 m -58.79 -24.83 62.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.738 HH22 HD23 ' A' 1646 ' ' LEU . 50.2 ttp180 -104.19 -34.12 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.674 ' HE3' HD13 ' A' 1653 ' ' ILE . 21.3 tptm -64.92 -34.41 78.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 1528 ' ' GLU . 47.1 mt-30 -57.52 -17.35 13.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.054 0.454 . . . . 0.0 110.372 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.637 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 97.0 m -83.85 -42.35 16.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.687 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.46 ' HB2' ' CE ' ' A' 1602 ' ' MET . . . -66.23 -24.11 66.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.346 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 48.7 t -82.82 -5.45 58.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.049 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.637 ' HE2' ' HA ' ' A' 1533 ' ' THR . 52.2 mtmt -77.49 149.04 77.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.64 -9.96 27.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.562 2.175 . . . . 0.0 112.26 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.58 ' HB2' ' HZ2' ' A' 1604 ' ' LYS . 11.0 pt-20 -87.54 -3.51 58.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.487 HD12 ' HA2' ' A' 1603 ' ' GLY . 41.0 mm -117.14 102.85 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.407 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -74.03 -57.78 3.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.62 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.499 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -113.69 159.13 20.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.411 0.624 . . . . 0.0 112.105 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.539 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -151.85 104.01 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.676 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.749 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.4 OUTLIER -149.63 -177.6 5.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.147 0.499 . . . . 0.0 112.227 -178.74 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.569 ' HA ' HD22 ' A' 1600 ' ' LEU . 14.5 tmtt? -111.89 122.16 47.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.656 HG11 HD11 ' A' 1580 ' ' ILE . 37.7 t -119.58 170.77 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.939 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.638 ' N ' HG12 ' A' 1545 ' ' VAL . 20.8 t -150.05 119.12 6.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.386 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.627 HD13 ' HB2' ' A' 1561 ' ' ALA . 33.6 mm -56.28 141.62 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.025 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 34.7 p -129.65 -18.22 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.7 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 68.5 m -150.55 154.83 38.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.342 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.424 HG12 ' HB2' ' A' 1595 ' ' LYS . 42.1 mm -121.76 138.5 51.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.845 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 59.6 m -123.57 121.29 35.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.194 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 86.5 t -109.48 133.92 53.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1553 ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' 1556 ' ' PHE . 8.9 tp10 -141.28 7.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.537 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 70.24 -75.49 0.07 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 52.9 t -61.56 -67.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.98 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' 1553 ' ' GLU . 15.7 m-85 -109.7 102.86 11.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.003 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 62.1 t -84.37 137.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.79 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.615 ' HG2' HG22 ' A' 1583 ' ' ILE . 59.4 mttm -125.79 157.33 37.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.14 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.423 ' CD2' HD12 ' A' 1593 ' ' LEU . 95.1 m-85 -135.29 133.82 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.7 ' HB3' ' HB2' ' A' 1549 ' ' SER . 22.7 tptm -95.58 116.82 29.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.627 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -122.49 152.76 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 111.557 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1562 ' ' THR . . . . . 0.562 ' C ' HG13 ' A' 1545 ' ' VAL . 2.4 m -115.66 117.08 29.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.833 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.786 HD21 HG12 ' A' 1566 ' ' ILE . 11.0 tp -66.49 103.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.164 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' 1546 ' ' SER . 4.4 mm? -63.91 -53.89 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.639 0.257 . . . . 0.0 111.59 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.9 t70 -149.47 154.1 38.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.153 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.786 HG12 HD21 ' A' 1563 ' ' LEU . 54.1 mt -103.38 138.5 27.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.005 0.431 . . . . 0.0 111.84 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.493 ' HB3' HG21 ' A' 1653 ' ' ILE . 31.7 m-85 -113.76 -20.04 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.539 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 65.1 tttm -153.02 104.47 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.537 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 63.1 m -40.41 144.43 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.187 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.816 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -97.58 130.5 10.26 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.39 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -58.61 -27.3 64.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 110.664 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -90.83 41.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.528 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 69.2 t 57.53 92.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.257 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.816 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -116.5 128.11 55.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.429 ' C ' HD11 ' A' 1566 ' ' ILE . 19.0 mm-40 -127.85 151.47 49.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.008 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -68.12 136.02 53.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.529 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.48 ' HA ' ' O ' ' A' 1563 ' ' LEU . 15.5 t70 63.0 24.41 14.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.054 0.454 . . . . 0.0 110.509 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 28.2 t -76.96 -167.99 0.97 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.523 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -120.09 127.08 52.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.466 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.676 HD12 ' HE1' ' A' 1582 ' ' PHE . 29.9 pt -136.2 144.09 34.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.969 0.414 . . . . 0.0 111.836 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 25.3 m -120.93 133.14 55.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.665 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.676 ' HE1' HD12 ' A' 1580 ' ' ILE . 29.6 m-85 -122.71 109.35 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.244 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.615 HG22 ' HG2' ' A' 1558 ' ' LYS . 34.7 pt -87.87 168.27 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.586 ' HB2' HD23 ' A' 1621 ' ' LEU . 5.5 tmmm? -169.91 144.36 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 111.136 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.519 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -83.65 133.74 34.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.931 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.9 p -57.95 -15.56 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.2 p -60.18 -14.49 17.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.433 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 63.5 m -62.12 159.14 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 56.2 p -139.79 1.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' 1513 ' ' ASP . 53.1 t30 -135.04 -24.98 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -80.97 113.39 19.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -143.36 138.09 29.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.759 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.423 HD12 ' CD2' ' A' 1559 ' ' TYR . 87.9 mt -125.48 153.03 44.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.681 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 61.9 t -127.19 142.44 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.424 ' HB2' HG12 ' A' 1550 ' ' ILE . 39.3 ttpt -78.21 142.54 37.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.37 75.6 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.613 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.681 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 81.7 mtt180 -95.8 158.75 15.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.985 0.421 . . . . 0.0 111.367 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.544 ' HB3' ' HE2' ' A' 1544 ' ' LYS . 72.0 mt-30 -97.77 119.53 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.669 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -116.2 129.9 56.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.088 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 1.0 OUTLIER -86.61 131.49 34.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.38 178.783 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.575 ' N ' HD13 ' A' 1600 ' ' LEU . 76.4 mt -124.11 132.72 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.46 ' CE ' ' HB2' ' A' 1534 ' ' ALA . 69.2 mtp -149.16 113.08 5.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.986 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.487 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -175.46 -158.17 18.61 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.645 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.58 ' HZ2' ' HB2' ' A' 1538 ' ' GLU . 47.3 mmtm -54.81 -177.36 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 111.842 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 10.1 pt-20 -99.58 55.82 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.178 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . 58.09 -175.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.382 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.402 ' HG ' ' HG3' ' A' 1620 ' ' PRO . 98.5 mt -121.24 94.6 4.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.549 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 45.1 mt-30 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.12 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.465 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 35.3 m-85 . . . . . 0 CA--C 1.528 0.115 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 28.2 pt -55.97 143.71 8.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' 1582 ' ' PHE . 30.1 m-85 -94.79 131.86 29.66 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.197 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1620 ' ' PRO . . . . . 0.402 ' HG3' ' HG ' ' A' 1607 ' ' LEU . 89.3 Cg_endo -78.61 -168.71 0.65 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.693 2.262 . . . . 0.0 112.153 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' 1584 ' ' LYS . 43.9 tp -160.98 104.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.552 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 11.0 m-20 -135.41 -162.41 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' 1514 ' ' CYS . 66.2 p -86.22 -24.63 25.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.716 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' 1625 ' ' THR . 1.8 pt? -67.08 -38.07 85.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.842 0.353 . . . . 0.0 111.004 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.623 ' H ' HD23 ' A' 1624 ' ' LEU . 35.2 m -70.2 119.86 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -66.06 130.37 43.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.07 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 67.9 mt -132.33 129.97 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.665 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.594 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 9.4 tp10 -128.93 154.2 46.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.977 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.548 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 62.5 t80 -98.19 135.24 40.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.777 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.481 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 2.6 t-105 -109.31 103.09 51.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.762 ' HB3' HD11 ' A' 1521 ' ' LEU . 8.7 Cg_endo -50.69 109.12 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.81 2.34 . . . . 0.0 112.247 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.546 ' HD3' ' HA ' ' A' 1597 ' ' ARG . 85.0 mtm180 -56.18 -50.24 71.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.8 133.44 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.84 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 26.0 mm-40 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.676 0.274 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1641 ' ' ALA . . . . . 0.542 ' O ' HD22 ' A' 1643 ' ' LEU . . . 68.1 99.91 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.43 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.631 ' HB3' ' HG3' ' A' 1631 ' ' PRO . 56.4 t80 74.75 -29.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.816 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.84 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.0 mm? -70.4 -4.36 22.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -87.23 -30.17 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -83.46 -21.22 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.738 HD23 HH22 ' A' 1530 ' ' ARG . 97.8 mt -77.81 -30.58 51.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.89 -35.03 79.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.574 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1648 ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' 1652 ' ' ASP . 44.9 mt-10 -73.27 -24.05 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.755 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' 1653 ' ' ILE . 89.4 t80 -91.86 -21.55 20.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.6 -67.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.357 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.01 -7.21 39.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.088 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' 1648 ' ' GLU . 20.4 t70 -75.63 -70.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.731 HD12 ' HA2' ' A' 1657 ' ' GLY . 7.3 tp -61.03 -24.79 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 110.834 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 61.7 t80 -74.02 -55.05 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.034 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 40.5 tp -81.63 -63.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -64.26 -71.5 0.17 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.117 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.731 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 66.38 -176.38 18.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.563 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.532 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 9.8 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.592 0.234 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.47 ' O ' ' HB3' ' A' 1588 ' ' CYS . 39.7 t 48.18 84.96 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.55 -179.501 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . 93.31 46.73 3.21 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.843 -179.269 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -45.67 111.11 0.31 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.519 -0.34 . . . . 0.0 111.187 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 95.2 mmm -79.79 -178.69 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -129.92 150.68 51.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' 1519 ' ' GLU . 0.9 OUTLIER -54.32 148.03 12.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.023 179.911 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.46 117.34 25.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 97.1 mt 59.75 102.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.288 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.489 ' OD1' HG23 ' A' 1524 ' ' THR . 40.5 t0 -159.79 130.59 5.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.577 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 93.0 mt -89.05 15.12 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.488 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1524 ' ' THR . . . . . 0.489 HG23 ' OD1' ' A' 1522 ' ' ASP . 68.9 p -84.5 0.43 49.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.822 0.344 . . . . 0.0 111.058 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.48 131.36 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.7 p -93.66 178.88 5.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1527 ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -90.46 -7.55 52.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.2 mt-10 -95.44 -43.04 8.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.2 m -55.69 -35.5 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.585 HH22 HD23 ' A' 1646 ' ' LEU . 71.9 mtm180 -75.35 -33.13 61.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.648 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 22.6 tptm -72.43 -28.96 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' 1528 ' ' GLU . 76.9 mt-30 -59.57 -18.64 42.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.802 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 77.7 m -100.19 -27.52 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.552 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.648 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -68.01 -21.68 65.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.203 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.6 t -88.98 -7.42 56.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.012 -179.816 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' 1533 ' ' THR . 55.0 mtmt -85.96 150.86 53.75 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.797 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.15 -13.54 19.94 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.614 2.209 . . . . 0.0 112.566 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' 1604 ' ' LYS . 7.5 tp10 -68.87 -9.61 52.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.991 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.639 HG21 ' HG2' ' A' 1602 ' ' MET . 33.5 mm -121.29 145.71 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 -179.759 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.61 ' HB1' ' HG3' ' A' 1605 ' ' GLU . . . -122.15 -34.78 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.2 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.853 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.3 p90 -138.4 159.78 41.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.359 0.6 . . . . 0.0 112.075 -179.198 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.55 ' HB2' ' HG3' ' A' 1602 ' ' MET . . . -150.56 109.28 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.399 179.03 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.776 ' HB2' HD11 ' A' 1563 ' ' LEU . 0.7 OUTLIER -154.61 -179.54 8.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.891 0.376 . . . . 0.0 111.811 -178.469 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' 1563 ' ' LEU . 0.0 OUTLIER -117.78 129.43 55.68 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.252 0.549 . . . . 0.0 110.541 179.708 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.636 HG12 ' N ' ' A' 1546 ' ' SER . 23.4 t -122.26 171.94 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.408 -178.548 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.636 ' N ' HG12 ' A' 1545 ' ' VAL . 22.9 t -144.56 115.36 7.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.18 178.603 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.601 HD13 ' HB2' ' A' 1561 ' ' ALA . 41.1 mm -55.38 143.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.304 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 73.6 p -135.83 -25.64 1.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.392 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.822 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 32.5 t -150.33 158.7 44.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.005 0.431 . . . . 0.0 111.28 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.2 mt -137.21 116.8 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.3 m -104.55 131.71 51.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 9.2 p -102.39 142.78 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1553 ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' 1554 ' ' ASN . 9.1 tp10 -143.36 165.05 28.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1554 ' ' ASN . . . . . 0.472 ' O ' ' HB ' ' A' 1555 ' ' VAL . 2.3 m-20 -75.02 121.62 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.472 ' HB ' ' O ' ' A' 1554 ' ' ASN . 92.3 t 74.81 -38.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.478 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -111.48 -174.83 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 11.2 p -164.17 143.35 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.487 ' HG2' HD13 ' A' 1583 ' ' ILE . 87.8 mttt -124.57 142.26 51.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 -179.774 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 88.3 m-85 -124.08 126.11 45.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.736 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.822 ' HB2' ' HB3' ' A' 1549 ' ' SER . 75.7 mmtt -93.83 104.94 16.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.601 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -121.92 141.77 50.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1562 ' ' THR . . . . . 0.502 ' C ' HG13 ' A' 1545 ' ' VAL . 5.3 m -97.52 118.01 33.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.776 HD11 ' HB2' ' A' 1543 ' ' TYR . 10.0 tp -68.65 104.43 1.98 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' 1562 ' ' THR . 4.4 mm? -68.13 -42.46 80.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -177.665 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.646 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 8.4 m-20 -150.94 155.42 39.07 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.171 -0.612 . . . . 0.0 112.39 -179.079 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.599 ' CD1' HD21 ' A' 1563 ' ' LEU . 8.9 mm -106.64 127.58 61.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.4 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.674 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 86.8 m-85 -112.41 -22.81 10.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.571 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.516 ' HB3' ' N ' ' A' 1542 ' ' ALA . 2.2 tmtp? -151.23 107.21 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.224 179.056 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1569 ' ' THR . . . . . 0.851 HG22 ' H ' ' A' 1571 ' ' GLU . 16.4 m -43.12 134.91 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.392 -178.656 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.853 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -81.94 1.21 87.22 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.445 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.851 ' H ' HG22 ' A' 1569 ' ' THR . 6.9 tp10 72.65 -41.51 0.51 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.609 0.364 . . . . 0.0 111.679 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -97.53 83.95 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.325 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 94.4 t 46.57 81.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.332 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.561 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -103.7 134.75 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.58 179.562 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.826 ' HB3' ' HB3' ' A' 1578 ' ' SER . 9.9 tp10 -140.28 143.17 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 -179.616 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.646 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 14.5 ptmm? -80.73 44.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.491 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.536 ' HB3' ' O ' ' A' 1576 ' ' LYS . 3.9 p30 169.83 19.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.752 -179.456 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.826 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 47.5 p -73.97 -167.26 0.47 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.142 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -128.81 114.92 17.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.319 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.552 HD11 HG21 ' A' 1545 ' ' VAL . 19.0 pt -113.68 143.65 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.772 -179.48 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 2.6 m -116.27 125.55 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.644 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.521 ' HB3' HD11 ' A' 1621 ' ' LEU . 12.2 m-85 -91.95 115.54 28.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.14 0.495 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.811 HG13 HD12 ' A' 1618 ' ' ILE . 1.7 mm -98.01 123.95 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.455 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.787 ' HB2' HD12 ' A' 1621 ' ' LEU . 35.0 ttpt -144.19 162.09 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.978 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.512 ' N ' ' HG2' ' A' 1584 ' ' LYS . 95.9 mttt -103.92 -179.31 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' 1555 ' ' VAL . 17.2 m -88.64 4.92 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.1 p -90.21 -42.95 10.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' 1584 ' ' LYS . 2.0 m -59.59 99.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.665 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 89.5 m -86.47 -32.62 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.352 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.532 ' OD1' ' HA ' ' A' 1513 ' ' ASP . 17.5 m120 -71.65 -45.25 62.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.328 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -63.19 112.28 2.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -136.84 150.85 48.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.792 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.72 166.83 22.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 94.1 t -137.75 135.27 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.007 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.46 ' HA ' ' CG2' ' A' 1547 ' ' ILE . 27.9 ttpp -68.92 141.77 54.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 61.91 55.46 28.19 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.413 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -156.55 133.24 10.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 110.935 -179.714 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -67.38 130.08 41.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.037 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -128.68 121.02 27.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.555 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.697 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 53.7 tp -76.93 141.43 40.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.731 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.49 HG22 ' HE1' ' A' 1541 ' ' TYR . 62.5 mt -135.4 142.05 40.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.095 0.474 . . . . 0.0 111.788 -179.015 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.639 ' HG2' HG21 ' A' 1539 ' ' ILE . 31.3 ttp -159.91 109.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.146 179.626 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' 1539 ' ' ILE . . . -179.48 -177.82 48.02 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 119.903 -1.141 . . . . 0.0 113.709 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' 1538 ' ' GLU . 32.4 mmmt -52.91 161.17 0.82 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.974 0.416 . . . . 0.0 111.704 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.61 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 39.0 mt-10 -64.52 -171.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.301 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -97.65 -170.47 2.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.049 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.76 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.105 179.872 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 13.4 m-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.811 HD12 HG13 ' A' 1583 ' ' ILE . 24.5 pt -114.12 128.33 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.617 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.508 ' CE1' HG22 ' A' 1580 ' ' ILE . 43.9 m-85 -84.76 116.06 63.59 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 -179.3 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.78 -177.41 3.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.71 2.273 . . . . 0.0 112.578 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.787 HD12 ' HB2' ' A' 1584 ' ' LYS . 92.7 mt -137.9 81.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.465 ' O ' ' HA2' ' A' 1515 ' ' GLY . 10.0 m-20 -99.99 179.14 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 72.9 p -63.65 -19.25 64.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' 1625 ' ' THR . 1.4 pp -85.06 -14.85 45.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.042 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.573 ' N ' HD12 ' A' 1624 ' ' LEU . 48.9 m -70.17 98.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.602 ' HB3' ' HB3' ' A' 1602 ' ' MET . 58.8 t-105 -71.29 115.13 10.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.025 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.5 mt -122.35 124.87 71.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.626 179.63 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.697 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 10.3 tp10 -126.16 118.65 25.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.34 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 6.8 t80 -61.9 120.38 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -107.65 107.37 60.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.339 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.415 ' CG ' HD21 ' A' 1643 ' ' LEU . 87.4 Cg_exo -46.82 110.57 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.578 2.185 . . . . 0.0 112.359 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -51.96 -31.08 27.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.197 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -115.1 144.91 42.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.848 HG22 HD13 ' A' 1643 ' ' LEU . 42.9 p . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.036 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.453 ' CB ' HD12 ' A' 1643 ' ' LEU . 29.7 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.69 0.281 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.68 80.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 84.7 t80 -64.9 -20.17 66.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.742 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.848 HD13 HG22 ' A' 1634 ' ' THR . 65.6 mt -76.42 2.22 14.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.121 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -94.77 -40.15 9.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.751 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -68.48 -20.41 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.585 HD23 HH22 ' A' 1530 ' ' ARG . 84.4 mt -73.52 -30.8 63.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.654 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.38 -36.08 81.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1648 ' ' GLU . . . . . 0.434 ' OE2' ' HB3' ' A' 1527 ' ' ALA . 40.4 tt0 -64.07 -36.89 85.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 179.801 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.66 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 90.0 t80 -87.81 -15.09 37.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.615 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -53.17 -59.4 4.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.648 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1651 ' ' GLU . . . . . 0.494 ' HG3' HD12 ' A' 1655 ' ' LEU . 1.9 tp10 -91.19 -6.81 52.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.613 -179.211 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 17.6 t70 -79.5 -17.95 53.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.834 0.349 . . . . 0.0 110.797 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.481 HD12 ' HE3' ' A' 1531 ' ' LYS . 7.9 tp -98.01 -23.15 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.747 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 57.4 t80 -90.84 -50.24 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.573 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.494 HD12 ' HG3' ' A' 1651 ' ' GLU . 33.8 mt -84.76 -53.13 5.56 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.057 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.46 10.02 29.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.132 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . -51.93 145.4 15.75 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.859 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.972 179.925 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.813 0.34 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 63.2 m -97.0 32.71 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.184 0.516 . . . . 0.0 110.328 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 126.67 74.44 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.13 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -51.38 108.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.523 ' HE2' ' HB1' ' A' 1591 ' ' ALA . 26.4 mmt -56.82 120.61 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -64.03 176.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.453 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 2.1 mp0 -62.17 172.56 1.4 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -96.47 -85.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' 1642 ' ' PHE . 6.7 mp -103.37 103.06 13.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.228 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.453 ' OD1' ' HB3' ' A' 1519 ' ' GLU . 3.3 m-20 -142.38 106.88 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.546 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.503 HD23 ' HD1' ' A' 1642 ' ' PHE . 22.2 mt -72.02 1.93 6.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 71.1 p -73.99 -19.16 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.057 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 66.0 mt -99.52 136.81 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 53.5 m -90.46 178.72 6.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1527 ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -92.61 -26.43 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' 1532 ' ' GLN . 14.7 mm-40 -77.73 -33.99 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 55.1 m -61.13 -31.93 71.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.543 HH22 HD13 ' A' 1646 ' ' LEU . 82.9 mtm180 -85.79 -35.38 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' 1531 ' ' LYS . 12.4 tmtt? -62.5 -38.19 88.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' 1528 ' ' GLU . 80.2 mt-30 -58.31 -18.8 29.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.567 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.798 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 48.6 m -87.24 -26.24 23.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.838 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.88 92.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.3 t -89.17 2.75 53.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.971 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.798 ' HE3' ' HA ' ' A' 1533 ' ' THR . 36.6 ttmt -61.31 140.67 94.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.595 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1537 ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' 1536 ' ' LYS . 11.6 Cg_endo -54.92 -44.27 51.29 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.727 2.285 . . . . 0.0 112.81 -179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.422 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.7 pt-20 -69.3 -4.56 18.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.594 HG13 HG22 ' A' 1533 ' ' THR . 39.6 mm -112.87 120.95 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -88.21 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.731 -179.593 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.871 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.9 p90 -107.32 162.09 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.165 0.507 . . . . 0.0 112.037 -179.008 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.605 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.1 97.64 2.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.174 179.301 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.719 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 3.7 p90 -150.07 170.67 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.092 0.472 . . . . 0.0 111.761 -179.395 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 60.6 tttm -106.22 135.14 48.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.454 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' 1563 ' ' LEU . 26.0 m -130.68 -175.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 111.378 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.815 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.8 t -149.68 128.92 12.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.985 -179.781 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.537 HD11 HD22 ' A' 1593 ' ' LEU . 44.3 mm -67.54 143.0 15.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.663 179.727 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1548 ' ' THR . . . . . 0.436 HG22 ' HA ' ' A' 1561 ' ' ALA . 6.5 t -137.23 -19.1 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.788 -179.685 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.891 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 32.3 t -154.2 156.5 37.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.025 0.44 . . . . 0.0 111.56 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.425 HG12 ' HD1' ' A' 1559 ' ' TYR . 79.8 mt -142.71 123.97 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.488 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 88.4 m -132.38 130.18 40.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.384 . . . . 0.0 111.395 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.51 HG23 HG22 ' A' 1557 ' ' VAL . 5.0 p -119.76 132.13 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.75 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -93.22 -86.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.134 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -136.38 -74.83 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.006 -179.723 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 89.6 t -95.24 -41.16 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -98.1 127.0 43.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.223 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.51 HG22 HG23 ' A' 1552 ' ' VAL . 47.6 t -96.26 146.01 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.513 179.503 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.821 ' HG2' HG22 ' A' 1583 ' ' ILE . 90.3 mttt -124.28 151.68 43.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 111.354 -179.436 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.425 ' HD1' HG12 ' A' 1550 ' ' ILE . 99.5 m-85 -134.51 119.69 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.746 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.891 ' HB3' ' HB3' ' A' 1549 ' ' SER . 47.1 tptt -93.98 110.92 22.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.436 ' HA ' HG22 ' A' 1548 ' ' THR . . . -127.24 164.68 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 111.403 -179.641 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1562 ' ' THR . . . . . 0.416 HG22 ' O ' ' A' 1563 ' ' LEU . 1.5 m -118.75 133.58 55.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.953 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.829 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.0 tt -63.68 148.5 48.88 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.555 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.815 HD11 ' HB2' ' A' 1546 ' ' SER . 91.5 mt -108.3 -53.62 2.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.157 179.518 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' 1543 ' ' TYR . 10.6 m-20 -156.52 140.55 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.091 179.452 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.719 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 70.8 mt -98.88 126.36 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.428 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.678 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -102.42 -20.58 14.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.352 0.596 . . . . 0.0 109.41 178.644 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.605 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.8 tttp -151.82 124.53 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.807 179.228 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1569 ' ' THR . . . . . 0.53 HG22 ' H ' ' A' 1571 ' ' GLU . 3.7 m -48.28 159.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.034 0.445 . . . . 0.0 111.812 -179.134 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.871 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -102.2 -0.2 50.93 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.014 -179.35 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.53 ' H ' HG22 ' A' 1569 ' ' THR . 44.4 mt-10 74.56 -44.44 0.55 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.74 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -88.29 46.35 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.978 0.418 . . . . 0.0 110.182 179.327 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 80.6 t 63.14 88.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.182 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.555 ' HB1' HD13 ' A' 1566 ' ' ILE . . . -98.36 129.29 45.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.39 179.429 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.517 ' HB2' ' HB3' ' A' 1578 ' ' SER . 18.4 mm-40 -125.68 142.8 51.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.264 -179.491 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.462 ' HE2' ' OD1' ' A' 1565 ' ' ASP . 60.4 tttm -59.5 139.67 56.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.963 179.21 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.782 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.3 p30 48.32 32.88 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 111.223 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 61.4 p -68.82 -166.01 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.668 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1579 ' ' GLU . . . . . 0.484 ' CD ' ' HE3' ' A' 1560 ' ' LYS . 9.6 tp10 -112.15 122.92 49.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.44 179.555 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.664 HD12 ' HE1' ' A' 1582 ' ' PHE . 39.6 pt -122.41 142.72 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 111.825 -179.46 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.9 m -135.7 110.13 8.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.471 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.664 ' HE1' HD12 ' A' 1580 ' ' ILE . 61.7 m-85 -101.23 127.42 47.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.503 -179.451 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.821 HG22 ' HG2' ' A' 1558 ' ' LYS . 48.6 pt -118.71 152.92 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.987 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.688 ' HB3' HD23 ' A' 1621 ' ' LEU . 22.3 pttp -148.4 176.83 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.492 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -89.94 -168.49 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.5 p -97.54 -21.86 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.6 p -68.15 -16.1 63.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.298 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.465 ' HB2' ' H ' ' A' 1589 ' ' THR . 2.7 m -58.94 -85.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1589 ' ' THR . . . . . 0.465 ' H ' ' HB2' ' A' 1588 ' ' CYS . 4.3 m 57.37 14.79 2.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.088 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 13.8 m120 -124.48 -29.55 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.523 ' HB1' ' HE2' ' A' 1517 ' ' MET . . . -103.17 98.64 8.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -135.74 119.4 17.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.537 HD22 HD11 ' A' 1547 ' ' ILE . 3.2 mp -98.02 119.36 36.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.496 HG12 ' OH ' ' A' 1599 ' ' TYR . 11.3 p -65.96 144.67 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.5 ' HB3' ' NZ ' ' A' 1595 ' ' LYS . 6.0 ttpm? -82.14 113.75 20.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 131.26 -28.24 3.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.669 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -90.34 172.74 8.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.937 0.398 . . . . 0.0 111.224 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -116.07 146.64 42.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.611 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.496 ' OH ' HG12 ' A' 1594 ' ' VAL . 96.4 m-85 -141.16 158.81 43.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.057 0.456 . . . . 0.0 111.551 -179.536 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' 1543 ' ' TYR . 61.2 tp -106.28 123.92 48.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.989 179.226 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.533 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.5 mt -114.44 134.2 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.077 0.465 . . . . 0.0 112.02 -179.121 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1602 ' ' MET . . . . . . . . . . . . . 66.0 mtp -147.27 112.68 5.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.073 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.528 ' HA2' HD12 ' A' 1539 ' ' ILE . . . 176.27 -166.46 37.52 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.097 -1.049 . . . . 0.0 113.52 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -48.67 151.33 1.18 Allowed 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.889 0.376 . . . . 0.0 111.447 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -73.47 -173.53 1.44 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.075 -179.822 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.404 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -84.72 148.18 26.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.071 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' 1607 ' ' LEU . 7.2 mp -89.28 115.93 27.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.496 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 38.7 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.496 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 2.9 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.668 0.271 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 46.7 pt -105.16 149.88 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' 1582 ' ' PHE . 52.5 m-85 -100.91 130.14 25.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -77.64 -167.23 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.587 2.191 . . . . 0.0 112.104 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' 1584 ' ' LYS . 49.6 tp -163.44 102.33 0.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.695 ' HB2' HD22 ' A' 1624 ' ' LEU . 9.5 m-20 -133.77 -164.48 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.802 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.2 p -80.41 10.83 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.709 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.695 HD22 ' HB2' ' A' 1622 ' ' ASP . 1.4 pt? -108.8 -2.68 18.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.343 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 58.7 m -85.7 129.27 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -95.31 112.26 24.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' 1600 ' ' LEU . 69.5 mt -123.82 127.26 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.87 120.71 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.717 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.455 ' HA ' ' CD1' ' A' 1599 ' ' TYR . 15.7 t80 -61.37 114.86 3.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.497 ' CZ2' ' HB3' ' A' 1646 ' ' LEU . 3.2 t90 -105.78 97.46 15.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.034 179.451 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.43 ' HB2' HD21 ' A' 1643 ' ' LEU . 87.2 Cg_exo -44.42 103.48 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.778 2.318 . . . . 0.0 112.592 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -57.17 -24.46 54.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.73 126.77 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.577 HG22 HD13 ' A' 1643 ' ' LEU . 71.5 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.244 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.782 0.325 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -55.75 -29.66 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.269 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.503 ' HD1' HD23 ' A' 1523 ' ' LEU . 90.4 t80 -94.32 -33.6 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.59 ' HA ' HD23 ' A' 1646 ' ' LEU . 65.2 mt -65.15 -12.49 51.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.727 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.3 74.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -75.21 -29.54 60.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' 1643 ' ' LEU . 3.8 mm? -68.93 -28.39 66.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.85 -43.86 91.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.08 -25.34 68.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.457 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 84.5 t80 -87.27 -29.97 21.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -69.69 -23.14 63.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.279 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -98.14 -34.42 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.28 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.61 ' CG ' HD22 ' A' 1656 ' ' ASN . 14.3 t70 -53.6 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.549 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.696 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 8.5 tp -55.67 -26.17 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.614 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1654 ' ' PHE . . . . . 0.525 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 13.8 t80 -76.52 -32.29 58.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.479 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.525 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 93.2 mt -99.07 -74.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.907 0.385 . . . . 0.0 111.363 -178.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.61 HD22 ' CG ' ' A' 1652 ' ' ASP . 3.9 p-10 -76.15 -55.52 5.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.417 -179.62 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.696 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 61.92 -158.53 33.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A 1658 ' ' CYS . . . . . 0.505 ' HB2' ' HZ1' ' A' 1531 ' ' LYS . 44.1 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' 1590 ' ' ASN . 9.5 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.478 0.18 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' 1516 ' ' GLN . 97.7 m 59.43 -152.82 0.39 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.168 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -53.13 84.57 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.883 178.906 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' 1514 ' ' CYS . 29.5 tt0 -43.59 -31.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.43 0.292 . . . . 0.0 111.36 -179.508 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' 1516 ' ' GLN . 25.1 ptm 44.3 -162.96 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.598 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -134.38 165.41 25.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.11 167.81 6.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.42 -80.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.07 105.72 17.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -136.82 105.46 5.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 73.2 mt -97.57 99.66 11.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.23 -179.647 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 10.1 t -176.25 -20.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.6 mt -90.09 118.83 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.7 p -80.16 171.79 14.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.08 -1.19 38.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -104.74 -36.47 7.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.7 m -64.06 -45.03 90.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.627 ' NH2' HD13 ' A' 1600 ' ' LEU . 16.1 ptm180 -78.82 -10.77 59.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.015 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.715 ' HE2' HD13 ' A' 1653 ' ' ILE . 27.4 tptp -86.03 -24.7 26.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' 1528 ' ' GLU . 84.8 mm-40 -59.26 -16.48 21.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.955 0.407 . . . . 0.0 110.655 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.81 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 50.9 m -90.88 -30.24 17.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.953 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.592 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -68.5 -26.6 65.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.0 t -85.5 0.6 51.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.993 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.81 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.0 mtmt -90.65 142.23 27.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1537 ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 32.4 Cg_exo -58.29 -24.93 70.2 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.61 -33.2 73.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.706 HG13 HG22 ' A' 1533 ' ' THR . 41.0 mm -99.05 106.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.438 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -78.68 -58.21 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.474 ' HE1' HG22 ' A' 1601 ' ' ILE . 2.0 p90 -108.17 163.09 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.325 0.583 . . . . 0.0 111.955 -179.231 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.625 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -154.8 121.16 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.222 179.25 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' 1565 ' ' ASP . 0.6 OUTLIER -170.2 -176.77 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.259 0.552 . . . . 0.0 112.264 -179.176 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -112.96 126.87 55.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.373 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' 1563 ' ' LEU . 17.4 m -121.01 -179.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.351 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.716 ' HB2' HD11 ' A' 1564 ' ' LEU . 21.7 t -152.28 125.71 8.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' 1561 ' ' ALA . 40.4 mm -66.71 143.46 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 70.7 p -131.43 -22.03 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.59 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.808 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 47.2 t -150.73 160.6 43.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.972 0.415 . . . . 0.0 111.232 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 83.4 mt -135.96 115.12 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1551 ' ' THR . . . . . 0.881 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 50.7 m -97.28 126.07 42.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.645 HG22 HG13 ' A' 1557 ' ' VAL . 93.4 t -125.52 128.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.995 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -115.69 -75.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -147.71 -69.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 30.7 t -104.94 -46.29 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -90.72 108.55 19.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.645 HG13 HG22 ' A' 1552 ' ' VAL . 61.8 t -92.92 108.55 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.714 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.881 ' HB2' ' HB ' ' A' 1551 ' ' THR . 34.1 mmtp -79.02 159.04 27.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -140.51 121.46 14.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.808 ' HB3' ' HB3' ' A' 1549 ' ' SER . 24.4 tptm -94.17 123.72 37.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.524 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.08 -179.9 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 111.674 -179.526 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 4.2 m -142.67 127.45 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.714 HD21 HG12 ' A' 1566 ' ' ILE . 14.3 tp -67.84 107.8 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.601 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' 1546 ' ' SER . 85.3 mt -63.41 -49.48 73.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.287 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' 1543 ' ' TYR . 18.4 t70 -158.74 149.32 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.714 HG12 HD21 ' A' 1563 ' ' LEU . 53.2 mt -87.97 139.82 16.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.153 0.501 . . . . 0.0 112.105 -179.349 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' 1542 ' ' ALA . 17.6 m-85 -116.91 -20.94 9.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.022 178.105 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 63.0 tttp -162.34 108.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.415 179.5 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 91.3 m -41.39 142.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.344 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.794 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -95.45 132.43 11.09 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.163 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.36 -27.98 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.844 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -89.73 41.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.638 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 79.6 t 55.75 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.227 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.794 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.53 133.12 55.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.661 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.592 ' O ' HD23 ' A' 1563 ' ' LEU . 40.1 mt-10 -131.66 152.94 50.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.851 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.547 ' N ' HD11 ' A' 1566 ' ' ILE . 9.2 ptpp? -62.78 148.76 45.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.438 179.777 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.1 p30 47.55 29.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.337 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 32.5 t -79.6 -168.89 1.71 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.591 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -109.42 143.94 38.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.483 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.48 HD12 ' CE2' ' A' 1582 ' ' PHE . 4.1 pt -148.13 149.97 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 111.797 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 59.4 m -134.19 117.67 16.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.629 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.614 ' HA ' ' O ' ' A' 1619 ' ' TYR . 67.6 m-85 -108.7 123.42 48.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.343 0.592 . . . . 0.0 111.364 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.518 HG12 ' HD2' ' A' 1558 ' ' LYS . 33.7 mt -92.23 133.87 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.323 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.42 ' HB2' HD12 ' A' 1621 ' ' LEU . 28.7 ttpt -134.61 142.59 46.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.31 179.291 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -90.09 159.33 16.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.5 p -69.11 -26.11 31.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.6 p -72.54 -13.89 61.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 67.0 m -65.55 112.75 3.75 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 52.3 m -110.59 -30.23 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' 1513 ' ' ASP . 17.3 m120 -86.37 -22.8 26.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -93.06 106.73 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.976 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -114.95 141.18 48.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.989 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.7 mt -138.63 119.91 14.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.537 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 58.5 t -104.34 138.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.516 ' HB3' ' NZ ' ' A' 1595 ' ' LYS . 5.9 ttpm? -79.68 121.18 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 106.67 -8.01 39.61 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.684 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.537 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 90.2 mtt180 -99.17 172.66 7.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.99 0.424 . . . . 0.0 111.4 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.557 ' HG2' HD11 ' A' 1564 ' ' LEU . 48.0 mt-30 -109.88 138.11 46.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.766 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -142.18 129.91 21.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.342 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.627 HD13 ' NH2' ' A' 1530 ' ' ARG . 6.0 tt -80.29 139.64 36.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.618 ' N ' HD23 ' A' 1600 ' ' LEU . 86.2 mt -133.19 137.69 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.203 0.525 . . . . 0.0 112.178 -179.219 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.569 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 77.2 mtp -142.19 117.7 10.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.984 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.493 ' N ' HG23 ' A' 1539 ' ' ILE . . . -171.29 176.4 44.59 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.138 -1.03 . . . . 0.0 113.29 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.625 ' N ' ' HD2' ' A' 1604 ' ' LYS . 0.0 OUTLIER -61.54 177.44 0.39 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.944 0.402 . . . . 0.0 111.215 -179.795 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.844 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.0 pt-20 -70.38 176.12 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.468 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -89.67 -171.72 3.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.8 mt -109.56 -171.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.412 ' HB3' ' CE1' ' A' 1617 ' ' TYR . 20.3 pt20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' 1608 ' ' GLN . 4.8 m-85 . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.832 0.349 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 40.5 pt -103.09 161.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' 1582 ' ' PHE . 24.4 m-85 -121.79 119.62 28.95 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.63 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -77.9 -173.57 1.87 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.29 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.42 HD12 ' HB2' ' A' 1584 ' ' LYS . 97.0 mt -144.59 94.2 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.711 179.663 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.513 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 9.8 m-20 -115.27 -174.3 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' 1514 ' ' CYS . 78.7 p -68.92 -8.86 48.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.676 -179.456 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.513 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.1 pt? -98.02 -7.88 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.334 . . . . 0.0 110.994 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.2 m -77.33 111.44 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.569 ' HB3' ' HB2' ' A' 1602 ' ' MET . 62.6 t-105 -72.82 116.39 13.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' 1600 ' ' LEU . 70.0 mt -133.99 105.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -108.15 122.25 46.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.475 ' O ' ' HD3' ' A' 1631 ' ' PRO . 67.5 t80 -58.0 122.92 14.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -96.57 104.29 17.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.138 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.741 ' HB2' HD21 ' A' 1643 ' ' LEU . 87.4 Cg_exo -47.2 99.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.586 2.191 . . . . 0.0 112.519 -179.546 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' 1632 ' ' ARG . 3.7 tmt_? -61.37 -38.66 87.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.674 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.68 134.6 33.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.913 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.783 ' HA ' HD23 ' A' 1643 ' ' LEU . 20.6 pt20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -84.48 -29.44 26.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.547 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 58.5 t80 -68.33 -28.19 66.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.761 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -69.9 -28.87 65.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.73 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -80.17 -14.49 58.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.736 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.77 -26.18 21.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -61.38 -40.8 95.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1648 ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' 1652 ' ' ASP . 41.1 tt0 -66.69 -31.42 72.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' 1653 ' ' ILE . 88.4 t80 -79.81 -25.27 40.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.792 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.37 -66.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.294 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -69.31 -4.24 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.143 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.443 ' CG ' HD22 ' A' 1656 ' ' ASN . 10.4 t70 -79.43 -74.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.715 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.5 tp -60.79 -29.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.203 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 54.4 t80 -70.83 -39.58 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.368 -179.655 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' 1655 ' ' LEU . 2.3 tm? -105.17 -75.07 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.91 0.386 . . . . 0.0 111.072 -179.233 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.443 HD22 ' CG ' ' A' 1652 ' ' ASP . 3.7 p-10 -81.72 28.26 0.42 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.574 -179.393 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -59.98 158.36 25.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.554 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.903 -179.989 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.577 0.227 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.462 ' O ' ' HB3' ' A' 1588 ' ' CYS . 42.8 t 47.0 77.98 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.044 0.449 . . . . 0.0 110.221 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.672 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 103.52 40.65 2.33 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.595 -178.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.516 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 53.6 tt0 -49.3 112.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.288 -0.456 . . . . 0.0 111.179 -179.561 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' 1515 ' ' GLY . 86.5 mtp -102.41 178.93 4.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -101.89 161.28 13.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.0 -178.9 0.83 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -85.34 -87.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.083 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 60.6 mt -101.39 99.54 9.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.57 ' HB3' HG22 ' A' 1524 ' ' THR . 3.9 m-20 -147.58 102.1 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.585 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.28 8.35 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.974 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1524 ' ' THR . . . . . 0.57 HG22 ' HB3' ' A' 1522 ' ' ASP . 6.5 t -66.7 -26.43 67.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.494 HG13 HG23 ' A' 1524 ' ' THR . 66.2 mt -94.25 132.6 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.998 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.6 m -85.57 176.59 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.29 -31.15 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.6 mt-10 -78.94 -29.91 44.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 46.3 m -61.86 -26.19 67.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.517 HH22 HD12 ' A' 1646 ' ' LEU . 33.4 mtm180 -95.42 -34.86 11.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.724 ' HE3' HD13 ' A' 1653 ' ' ILE . 22.2 tptm -64.77 -39.28 93.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' 1536 ' ' LYS . 49.9 mt-30 -59.25 -17.94 32.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.521 179.646 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.837 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 96.8 m -80.93 -40.95 23.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.798 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.532 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -63.39 -30.57 71.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.224 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 99.6 m -75.3 -23.14 57.3 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.837 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.9 mtmt -61.52 148.98 85.3 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.28 -11.33 31.81 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.536 2.157 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.489 ' O ' HD13 ' A' 1539 ' ' ILE . 12.2 pt-20 -83.34 2.69 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' 1603 ' ' GLY . 41.3 mm -128.75 113.62 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.09 -62.15 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.464 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.533 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.6 p90 -104.46 159.04 16.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.733 -179.096 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.75 98.82 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.236 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.73 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 6.8 p90 -148.29 176.82 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.072 0.463 . . . . 0.0 111.9 -179.208 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 83.3 tttt -115.09 133.58 55.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.418 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.825 HG12 ' HA ' ' A' 1563 ' ' LEU . 16.8 m -130.07 -173.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 111.377 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 11.2 t -152.14 126.98 9.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.779 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.467 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.2 mm -59.52 145.78 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 69.9 p -132.38 -16.4 2.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.63 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.745 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 36.0 t -162.09 159.51 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 111.498 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -137.54 113.5 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.616 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1551 ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 60.4 m -100.79 137.36 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.321 -179.687 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 87.2 t -135.27 123.33 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.04 -81.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -149.73 -67.81 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.998 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' 1586 ' ' VAL . 66.2 t -105.38 -34.08 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.185 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -99.28 113.43 25.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.577 ' HB ' ' HG3' ' A' 1584 ' ' LYS . 47.9 t -91.92 147.86 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.628 179.769 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.823 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.7 mttt -132.89 152.39 51.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.926 0.393 . . . . 0.0 111.346 -179.633 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.611 ' HE2' ' HD3' ' A' 1584 ' ' LYS . 98.9 m-85 -138.08 112.51 8.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.689 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.745 ' HB3' ' HB3' ' A' 1549 ' ' SER . 24.2 tptm -89.3 127.19 35.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.501 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.467 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -141.05 160.1 40.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 111.615 -179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -113.34 138.06 50.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.027 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.825 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.0 tt -71.45 139.73 49.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.624 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.608 ' N ' HD23 ' A' 1563 ' ' LEU . 9.2 mp -97.96 -56.46 2.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.969 0.414 . . . . 0.0 110.476 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' A' 1543 ' ' TYR . 9.3 m-20 -154.51 148.05 25.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.269 179.722 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.73 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 62.5 mt -107.04 129.45 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 111.902 -179.637 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.519 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -102.45 -19.44 14.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.747 178.923 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.635 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.7 tttp -148.71 113.46 5.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.029 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 85.8 m -47.04 147.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.17 0.51 . . . . 0.0 111.759 -179.293 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.801 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.39 133.86 11.5 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.222 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 35.5 mt-10 -58.08 -27.24 63.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.742 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.82 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -91.1 40.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.427 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.4 t 56.2 89.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.227 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.801 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.38 128.56 54.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.707 179.573 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.431 ' O ' HD13 ' A' 1563 ' ' LEU . 19.8 mm-40 -128.07 144.63 51.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.912 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.608 ' HE3' ' HB ' ' A' 1566 ' ' ILE . 12.6 mptt -59.09 127.73 33.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.745 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.2 t70 64.65 42.23 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.061 0.458 . . . . 0.0 110.827 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.536 ' H ' ' HB3' ' A' 1563 ' ' LEU . 60.3 p -87.72 -165.84 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.762 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.69 134.85 54.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.771 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.68 HD12 ' HE1' ' A' 1582 ' ' PHE . 31.9 pt -139.23 140.53 37.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.493 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 37.9 m -132.9 120.7 21.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.77 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.68 ' HE1' HD12 ' A' 1580 ' ' ILE . 61.8 m-85 -109.72 118.93 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.123 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.823 HG22 ' HG2' ' A' 1558 ' ' LYS . 40.2 pt -105.6 169.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.611 ' HD3' ' HE2' ' A' 1559 ' ' TYR . 19.3 ptmt -170.01 -170.95 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 111.055 -179.615 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' 1585 ' ' LYS . 12.4 mptt -115.17 -175.61 2.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.654 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' 1555 ' ' VAL . 28.3 m -95.84 15.8 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.9 p -108.55 -24.46 11.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.465 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' 1514 ' ' CYS . 8.0 m -69.75 88.7 0.54 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.91 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 21.9 m -93.56 69.19 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.516 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 22.3 t-20 -173.37 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.672 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -95.74 96.74 9.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.894 0.378 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -126.43 137.62 53.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.462 HD13 HD11 ' A' 1547 ' ' ILE . 85.7 mt -123.43 140.07 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 57.3 t -101.63 133.37 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.998 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.58 133.25 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 65.48 64.05 3.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.549 ' HE ' ' HE1' ' A' 1629 ' ' TYR . 32.6 ttt180 -157.36 145.05 18.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.684 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -82.71 137.45 34.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.988 0.423 . . . . 0.0 111.589 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.523 ' OH ' ' HD3' ' A' 1597 ' ' ARG . 75.2 m-85 -146.25 139.95 26.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.849 179.761 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' 1627 ' ' ILE . 47.0 tp -85.6 136.67 33.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.38 179.518 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.533 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.4 mt -134.66 125.8 46.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.951 0.405 . . . . 0.0 111.933 -179.531 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.532 ' SD ' ' HB2' ' A' 1534 ' ' ALA . 41.9 mtm -143.38 114.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.875 179.174 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.546 ' N ' HG23 ' A' 1539 ' ' ILE . . . -170.86 179.39 42.82 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.11 -1.043 . . . . 0.0 113.324 -179.295 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' 1538 ' ' GLU . 13.6 mmmm -57.5 170.49 0.54 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.82 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.1 pt-20 -61.58 176.18 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -92.87 -177.09 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.254 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.3 mt -81.97 -163.33 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.785 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.216 179.918 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 21.6 m-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.717 0.294 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 37.3 pt -103.15 162.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.016 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 43.1 m-85 -112.84 138.31 22.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.64 -21.28 19.37 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.558 2.172 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' 1583 ' ' ILE . 61.3 tp 57.01 97.53 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -146.87 -167.56 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 65.7 p -59.67 -32.07 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.179 -179.678 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 47.9 tp -61.8 -27.96 69.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.837 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 30.6 m -77.65 106.36 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.196 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -76.02 103.6 6.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' 1600 ' ' LEU . 65.8 mt -116.52 134.21 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -134.48 145.03 48.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.549 ' HE1' ' HE ' ' A' 1597 ' ' ARG . 10.1 t80 -76.99 119.72 21.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.463 ' CE3' HD23 ' A' 1646 ' ' LEU . 2.4 t-105 -104.73 101.59 29.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.135 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.708 ' HB2' HD11 ' A' 1643 ' ' LEU . 80.7 Cg_exo -45.26 111.06 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.64 2.227 . . . . 0.0 112.392 -179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.509 ' HD2' ' HG3' ' A' 1597 ' ' ARG . 80.8 mtp180 -47.63 -37.05 11.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.366 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 7.7 t70 -146.67 176.92 9.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.787 ' HB ' ' HB3' ' A' 1640 ' ' GLN . 72.9 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.295 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.787 ' HB3' ' HB ' ' A' 1634 ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.789 0.328 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.55 -14.57 61.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.767 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.431 ' O ' HD13 ' A' 1646 ' ' LEU . 54.3 t80 -90.95 -32.86 15.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.78 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.736 HD23 ' HA ' ' A' 1640 ' ' GLN . 3.0 mm? -72.01 -23.03 61.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.807 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.66 -20.1 60.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -87.03 -48.32 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.767 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.517 HD12 HH22 ' A' 1530 ' ' ARG . 9.9 mp -63.69 -27.07 68.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.69 -25.17 67.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.29 -35.04 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.658 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.458 ' O ' HG22 ' A' 1653 ' ' ILE . 82.6 t80 -72.92 -25.03 60.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.683 179.844 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.92 -63.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.288 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.39 -8.13 54.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -74.45 -69.24 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.786 HD12 ' HA2' ' A' 1657 ' ' GLY . 6.0 tp -62.07 -27.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.778 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.46 -53.81 12.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.275 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 40.6 tp -82.07 -63.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.385 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -64.71 -72.32 0.15 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.092 -179.793 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.786 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 73.23 152.6 2.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.553 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.974 -179.983 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.474 ' HA ' ' CG ' ' A' 1590 ' ' ASN . 4.7 p-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.615 0.245 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.51 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 14.3 t -50.11 105.05 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.419 179.578 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 80.52 42.0 10.71 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.81 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -44.62 116.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.868 0.366 . . . . 0.0 111.247 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 63.7 mtt -100.01 153.43 19.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -91.74 177.93 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.9 147.86 51.91 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.65 -20.81 64.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 68.8 mt -149.41 99.91 2.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.809 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -133.33 105.32 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.739 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 64.6 mt -81.99 10.7 6.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.007 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 73.7 p -86.47 -40.9 14.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 74.5 mt -77.92 130.77 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 87.7 p -88.63 -173.76 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -87.38 1.59 52.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -117.77 -30.76 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 85.4 m -62.98 -37.28 86.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.268 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.412 ' HB2' ' CZ2' ' A' 1626 ' ' TRP . 19.9 ptt180 -98.18 -5.07 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.8 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.552 ' NZ ' ' HA ' ' A' 1653 ' ' ILE . 1.5 tmtp? -84.04 -31.06 25.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.678 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.7 mm-40 -54.03 -27.31 31.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.941 0.401 . . . . 0.0 110.443 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.648 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 89.3 m -74.17 -32.45 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.852 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -67.75 2.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.629 -179.729 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 42.3 t -131.03 -11.97 3.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.659 0.266 . . . . 0.0 111.482 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.648 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.1 mtmt -60.04 153.73 54.17 Favored Pre-proline 0 C--N 1.332 -0.162 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.17 -28.78 73.53 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.678 2.252 . . . . 0.0 112.147 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.55 -12.34 61.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.629 HG13 HG22 ' A' 1533 ' ' THR . 40.7 mm -115.41 135.32 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.194 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' 1603 ' ' GLY . . . -104.25 -67.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.342 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.52 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.3 p90 -98.88 158.12 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.585 -179.297 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.637 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -146.34 98.48 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.258 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.685 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 4.8 p90 -151.68 169.75 21.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.076 0.465 . . . . 0.0 111.942 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 83.1 tttt -102.31 138.04 39.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.702 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.921 HG12 ' HA ' ' A' 1563 ' ' LEU . 33.9 m -137.54 175.14 10.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.313 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.468 ' CB ' HD11 ' A' 1564 ' ' LEU . 11.3 t -142.11 142.04 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.806 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.495 HD13 ' HB2' ' A' 1561 ' ' ALA . 38.5 mm -84.77 137.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.624 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 34.5 p -130.84 -42.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.431 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.577 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 71.1 m -119.03 142.39 47.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.322 -179.377 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.8 129.34 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 60.4 m -136.72 139.1 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.63 HG22 HG13 ' A' 1557 ' ' VAL . 90.8 t -121.18 124.97 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 179.844 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -92.29 -82.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -149.74 -71.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 24.5 t -100.4 -32.03 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -108.8 113.0 25.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.63 HG13 HG22 ' A' 1552 ' ' VAL . 32.0 t -82.04 132.07 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.76 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.665 ' HA ' HG22 ' A' 1583 ' ' ILE . 32.6 mmtp -98.99 144.3 28.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.465 -179.319 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.519 ' HB2' ' O ' ' A' 1582 ' ' PHE . 68.1 m-85 -140.46 122.06 15.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.792 179.424 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.577 ' HB2' ' HB2' ' A' 1549 ' ' SER . 14.4 mmmm -107.1 126.32 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.429 179.625 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.495 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -133.03 179.22 6.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.002 0.43 . . . . 0.0 111.652 -179.62 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 6.7 m -128.9 142.18 51.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.921 ' HA ' HG12 ' A' 1545 ' ' VAL . 1.0 OUTLIER -78.43 98.59 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.548 HD13 ' HA ' ' A' 1545 ' ' VAL . 8.0 mp -58.44 -44.04 89.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.663 0.268 . . . . 0.0 111.117 -179.767 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.3 t70 -171.7 143.89 1.76 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.722 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.685 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 63.2 mt -96.1 130.78 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.013 0.435 . . . . 0.0 112.054 -179.452 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.6 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 55.8 m-85 -107.98 -17.47 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.518 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.637 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 86.7 tttt -157.38 113.45 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.799 179.093 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 37.5 m -46.19 147.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.168 0.509 . . . . 0.0 111.666 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.722 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -109.92 135.47 12.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.376 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.595 ' HB2' ' HG2' ' A' 1605 ' ' GLU . 38.6 mt-10 -62.5 -18.85 62.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.625 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' 1605 ' ' GLU . . . -86.6 42.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.509 179.479 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.2 t 53.18 73.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.725 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.722 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -89.52 147.9 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.63 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.439 ' O ' HD13 ' A' 1563 ' ' LEU . 9.9 tp10 -154.81 137.59 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -49.24 117.56 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.626 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.6 t70 65.19 48.45 2.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.967 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.419 ' OG ' HD12 ' A' 1563 ' ' LEU . 60.0 p -88.65 -165.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.539 179.288 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -118.75 117.68 29.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.715 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.583 HD13 HG11 ' A' 1545 ' ' VAL . 28.0 pt -113.35 144.13 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.225 -179.723 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1581 ' ' THR . . . . . 0.42 HG23 ' HD2' ' A' 1560 ' ' LYS . 2.9 m -127.05 100.86 6.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.256 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.644 ' HA ' ' O ' ' A' 1619 ' ' TYR . 50.3 m-85 -98.27 135.42 39.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.702 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.665 HG22 ' HA ' ' A' 1558 ' ' LYS . 35.6 pt -134.47 152.76 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 111.618 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.641 ' NZ ' ' HA ' ' A' 1586 ' ' VAL . 7.9 ptmm? -126.91 170.89 11.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.035 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.547 ' O ' HG12 ' A' 1586 ' ' VAL . 97.7 mttt -93.67 31.05 1.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.113 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.641 ' HA ' ' NZ ' ' A' 1584 ' ' LYS . 4.3 p 46.69 20.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.872 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1587 ' ' THR . . . . . 0.503 HG23 ' O ' ' A' 1585 ' ' LYS . 41.7 p -121.44 -24.14 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.129 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.51 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 13.2 m -60.38 111.82 1.71 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.774 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 78.3 m -95.43 -33.12 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.474 ' CG ' ' HA ' ' A' 1513 ' ' ASP . 4.3 m-20 -79.47 7.0 8.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.185 -179.742 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -137.08 109.4 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.181 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.16 108.68 8.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 89.6 mt -93.37 141.01 28.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 8.3 p -138.18 140.41 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.058 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' 1595 ' ' LYS . 0.0 OUTLIER -67.81 155.2 39.87 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 93.13 -31.31 6.39 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.598 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -95.28 171.84 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 111.322 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -121.82 143.75 49.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -140.56 141.95 35.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.354 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' 1627 ' ' ILE . 57.6 tp -90.06 127.16 36.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.829 179.134 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.52 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.4 mt -122.53 131.54 73.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.174 0.512 . . . . 0.0 112.304 -179.012 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.45 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 31.0 mtm -145.01 115.9 7.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.567 179.006 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.538 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -175.72 -171.73 39.88 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 119.872 -1.156 . . . . 0.0 113.784 -179.255 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -46.89 158.81 0.12 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.94 0.4 . . . . 0.0 111.601 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' 1572 ' ' ALA . 0.0 OUTLIER -81.47 43.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.622 -179.527 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . 50.19 -165.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.097 0.475 . . . . 0.0 111.614 179.449 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' 1607 ' ' LEU . 6.4 mp -94.48 171.23 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.25 179.438 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 10.6 pt20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.95 -179.99 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.753 0.311 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.437 ' O ' ' HB1' ' A' 1606 ' ' ALA . 47.3 pt -136.02 132.77 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.372 178.763 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' A' 1582 ' ' PHE . 9.3 m-85 -80.09 120.62 80.26 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.395 -178.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -85.55 -168.74 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.834 2.356 . . . . 0.0 112.441 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' 1584 ' ' LYS . 82.3 mt -144.91 103.98 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -129.55 179.0 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.4 p -69.12 -16.19 63.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' 1625 ' ' THR . 1.9 pp -85.7 -10.31 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.097 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.484 ' N ' HD12 ' A' 1624 ' ' LEU . 62.4 m -78.05 110.14 12.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.018 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' 1601 ' ' ILE . 68.6 t-105 -74.54 113.43 11.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' 1600 ' ' LEU . 67.7 mt -131.19 109.29 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.91 120.28 34.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.453 ' O ' ' HD3' ' A' 1631 ' ' PRO . 87.6 t80 -57.96 128.15 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -94.02 107.04 25.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.346 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.557 ' HB2' HD21 ' A' 1643 ' ' LEU . 75.4 Cg_exo -50.14 113.91 1.2 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.586 2.19 . . . . 0.0 112.546 -179.691 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -79.68 -28.87 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.712 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.71 127.83 32.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.482 HG22 ' HG ' ' A' 1643 ' ' LEU . 77.1 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.743 ' HA ' HD23 ' A' 1643 ' ' LEU . 29.6 pt20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.1 -27.77 68.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.401 ' CD2' ' HG2' ' A' 1631 ' ' PRO . 65.5 t80 -75.29 -38.05 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.78 ' HA ' HD23 ' A' 1646 ' ' LEU . 2.8 mm? -65.4 -16.63 63.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.47 -21.22 65.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -84.82 -33.34 22.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.78 HD23 ' HA ' ' A' 1643 ' ' LEU . 3.5 mm? -64.65 -32.51 74.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.64 -42.95 99.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.56 -35.74 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.5 ' O ' HG22 ' A' 1653 ' ' ILE . 87.7 t80 -66.69 -31.66 72.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -71.39 -21.7 61.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.398 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -110.26 -3.91 15.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.171 -179.441 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -91.24 -70.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.552 ' HA ' ' NZ ' ' A' 1531 ' ' LYS . 0.0 OUTLIER -57.76 -28.34 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 62.4 t80 -75.44 -52.67 10.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.419 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.8 tt -84.15 -69.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.392 . . . . 0.0 110.826 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 15.1 m120 -54.18 -77.29 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.31 -179.683 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 69.65 151.82 0.59 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.518 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.017 -179.944 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.733 0.301 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' 1591 ' ' ALA . 16.1 t -49.73 134.92 19.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.623 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 83.21 -51.77 4.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.26 -179.754 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' A' 1515 ' ' GLY . 23.9 tp60 72.21 -63.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.766 0.426 . . . . 0.0 111.44 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' 1517 ' ' MET . 23.3 ptm 42.41 99.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.23 0.538 . . . . 0.0 111.848 -179.723 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1518 ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' A' 1518 ' ' GLN . 1.7 mp0 -53.37 162.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.217 -179.837 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.38 155.27 15.08 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.06 118.09 23.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.769 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.9 mt 59.63 95.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -142.97 121.58 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 88.3 mt -86.21 15.68 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 77.1 p -86.45 -26.17 24.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.73 138.93 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.087 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 35.9 t -89.64 177.31 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -78.07 -30.8 49.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.225 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.6 mt-10 -82.77 -38.43 23.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 77.4 m -57.75 -45.86 85.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -70.55 -17.72 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.484 ' HD3' ' O ' ' A' 1531 ' ' LYS . 1.5 tmtp? -86.57 -23.4 25.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.655 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.9 mm-40 -55.94 -18.43 9.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.666 179.719 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.738 HG22 HG13 ' A' 1539 ' ' ILE . 37.9 m -91.02 -28.37 18.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.581 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -73.18 1.48 9.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.503 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.7 t -126.62 -0.8 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.263 -179.692 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.681 ' HG3' ' HA ' ' A' 1533 ' ' THR . 98.1 mttt -62.92 145.79 95.99 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.804 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.41 -17.9 29.04 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.51 2.14 . . . . 0.0 112.024 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.682 ' HG3' ' HE2' ' A' 1604 ' ' LYS . 36.1 tt0 -85.0 -64.06 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.738 HG13 HG22 ' A' 1533 ' ' THR . 43.6 mm -53.84 109.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.331 -179.735 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.863 ' HB3' ' H ' ' A' 1605 ' ' GLU . . . -78.9 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.41 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.555 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 6.3 p90 -99.71 155.84 17.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.803 -179.049 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -148.12 89.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.804 179.274 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.753 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 10.1 p90 -141.95 166.61 24.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 112.067 -178.8 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.515 ' NZ ' ' HB3' ' A' 1544 ' ' LYS . 4.6 ttpm? -105.51 134.0 49.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.259 179.508 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.823 HG12 ' HA ' ' A' 1563 ' ' LEU . 36.0 m -125.78 -174.77 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 111.606 -179.63 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.75 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.4 t -150.78 122.72 8.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.772 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.452 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 43.6 mm -64.74 143.07 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 47.7 p -128.63 -32.52 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.439 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.406 ' HA ' ' HE3' ' A' 1595 ' ' LYS . 74.1 m -150.66 152.18 33.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.346 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.434 HG12 ' HD1' ' A' 1559 ' ' TYR . 75.8 mt -128.84 137.42 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 60.7 m -138.13 140.56 39.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.518 HG23 HG22 ' A' 1557 ' ' VAL . 9.3 p -142.8 144.77 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -113.3 -66.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -132.99 -71.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' 1556 ' ' PHE . 6.5 m -111.96 -51.23 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.284 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.441 ' N ' HG23 ' A' 1555 ' ' VAL . 90.4 m-85 -71.67 124.34 24.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.821 179.875 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.518 HG22 HG23 ' A' 1552 ' ' VAL . 24.8 t -108.94 110.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.792 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' 1558 ' ' LYS . 0.7 OUTLIER -81.66 151.6 27.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.731 179.766 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.434 ' HD1' HG12 ' A' 1550 ' ' ILE . 93.5 m-85 -135.69 111.46 9.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -87.82 108.83 19.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.149 179.379 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -133.4 156.87 46.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.006 0.431 . . . . 0.0 111.71 -179.366 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.8 m -105.35 136.02 45.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.863 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.823 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.7 tt -67.44 140.96 57.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.841 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' 1546 ' ' SER . 86.3 mt -98.25 -45.3 6.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.999 -179.609 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.2 t70 -167.7 138.57 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.795 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.753 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.5 mt -101.61 122.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.96 0.409 . . . . 0.0 111.914 -179.479 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -97.83 -15.68 20.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.529 178.754 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.411 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 61.9 tttm -153.46 111.16 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.771 179.328 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 58.8 m -43.47 144.65 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.165 0.507 . . . . 0.0 112.058 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.805 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.52 132.33 10.92 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.559 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.477 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 39.9 mt-10 -60.6 -23.71 64.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.449 179.68 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.572 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -96.24 66.42 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.581 179.464 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' 1573 ' ' VAL . 7.6 p 38.31 83.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.07 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.805 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.25 130.32 56.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.603 179.471 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' 1578 ' ' SER . 46.1 mt-10 -139.16 155.43 47.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.95 131.68 50.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.791 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.726 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.1 p30 45.84 37.45 3.54 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.614 179.681 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.559 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 53.9 p -77.86 -168.7 1.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 179.515 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -112.52 125.72 54.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.36 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.59 HD11 HG11 ' A' 1545 ' ' VAL . 9.3 pt -143.47 147.22 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.023 0.439 . . . . 0.0 111.963 -179.282 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 40.6 m -124.37 116.61 22.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.661 179.731 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.854 ' HB3' HD21 ' A' 1621 ' ' LEU . 51.9 m-85 -93.18 120.17 33.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.985 0.421 . . . . 0.0 111.607 -179.631 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.5 HG23 ' HA ' ' A' 1620 ' ' PRO . 6.4 tt -99.99 109.43 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.801 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' 1621 ' ' LEU . 25.2 ttpp -104.07 151.24 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.998 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.56 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 67.0 mttm -91.76 151.48 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.672 179.768 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 12.3 p -88.5 -18.13 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 10.2 t -88.32 12.95 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.46 -179.681 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 64.6 m -78.95 146.54 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 87.4 m -67.62 -73.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.338 -179.738 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -121.15 85.45 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 111.462 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.623 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -153.65 101.7 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.702 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -137.47 155.96 48.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 75.1 mt -133.99 166.86 21.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 73.6 t -128.56 140.79 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' 1549 ' ' SER . 87.6 tttt -77.15 140.23 40.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.97 61.12 6.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.594 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.545 ' HA ' ' HD2' ' A' 1632 ' ' ARG . 35.1 ttm180 -163.85 153.23 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.0 110.719 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.565 ' HG2' HD11 ' A' 1564 ' ' LEU . 97.4 mt-30 -88.57 133.36 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.034 0.445 . . . . 0.0 111.483 -179.565 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.504 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 68.1 m-85 -143.25 125.27 15.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.814 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 51.5 tp -75.58 140.19 42.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.263 179.338 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.562 ' HA ' ' O ' ' A' 1626 ' ' TRP . 97.5 mt -139.69 127.58 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.149 0.499 . . . . 0.0 111.971 -179.404 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.581 ' SD ' ' HB2' ' A' 1534 ' ' ALA . 32.6 mtm -136.44 120.34 17.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.774 179.12 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.449 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -160.51 179.49 35.97 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.161 -1.018 . . . . 0.0 113.445 -178.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.682 ' HE2' ' HG3' ' A' 1538 ' ' GLU . 9.2 ttpt -84.2 92.57 7.98 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.701 0.259 . . . . 0.0 111.701 -179.494 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.863 ' H ' ' HB3' ' A' 1540 ' ' ALA . 13.1 pt-20 40.78 -161.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.128 179.06 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.553 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -128.44 -170.01 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.055 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.535 ' HG ' ' HD3' ' A' 1620 ' ' PRO . 85.0 mt -86.07 -165.93 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.188 -179.939 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.53 ' HA ' ' O ' ' A' 1607 ' ' LEU . 27.8 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.699 0.285 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.496 HD12 HG21 ' A' 1583 ' ' ILE . 19.0 pt -59.43 129.44 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.879 0.371 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.553 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 5.9 m-85 -79.22 110.5 15.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.064 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1620 ' ' PRO . . . . . 0.535 ' HD3' ' HG ' ' A' 1607 ' ' LEU . 80.3 Cg_endo -74.88 151.36 40.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.56 2.173 . . . . 0.0 112.343 -179.829 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.854 HD21 ' HB3' ' A' 1582 ' ' PHE . 3.8 mm? -103.59 99.91 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 179.564 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.505 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 9.1 m-20 -123.01 -163.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.8 p -70.5 -31.48 68.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.563 -179.42 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 2.4 pt? -78.42 9.85 3.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.504 HG22 HG13 ' A' 1627 ' ' ILE . 68.2 m -95.29 117.85 31.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.562 ' O ' ' HA ' ' A' 1601 ' ' ILE . 51.0 t-105 -90.47 101.08 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.697 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.568 HD11 HD12 ' A' 1621 ' ' LEU . 75.2 mt -109.92 128.88 65.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -143.75 115.2 8.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.461 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 7.5 t80 -58.53 127.72 33.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t90 -113.08 100.27 50.92 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.415 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.478 ' HB2' HD11 ' A' 1643 ' ' LEU . 88.5 Cg_exo -47.13 106.39 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.674 2.249 . . . . 0.0 112.456 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.545 ' HD2' ' HA ' ' A' 1597 ' ' ARG . 76.9 mtp180 -55.25 -39.0 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.69 157.83 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.075 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.762 HG22 HD13 ' A' 1643 ' ' LEU . 65.1 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.83 83.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.494 ' O ' ' HG ' ' A' 1646 ' ' LEU . 90.5 t80 -78.1 -26.28 47.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.664 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.762 HD13 HG22 ' A' 1634 ' ' THR . 77.2 mt -82.66 -0.77 48.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.066 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.22 -38.0 22.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.74 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -78.09 -28.17 48.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.578 HD12 HD23 ' A' 1643 ' ' LEU . 70.5 mt -68.06 -34.66 76.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.661 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.79 -42.49 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.678 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.45 -41.31 97.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.689 179.726 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 67.9 t80 -61.99 -34.99 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.027 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.16 82.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.361 -179.748 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -87.59 -3.59 58.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -82.56 -73.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.084 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.48 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.6 tp -54.75 -26.82 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.065 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 75.3 t80 -76.01 -51.21 12.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 30.2 tp -92.85 -65.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.296 -179.463 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -55.43 -74.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.452 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 70.43 139.2 0.15 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.337 -179.64 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.161 -179.901 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.983 0.42 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.594 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 12.4 t -86.33 107.3 17.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.711 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.79 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 87.8 41.03 6.49 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.325 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' 1516 ' ' GLN . 16.0 pt20 -52.11 112.16 0.74 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 82.0 mtp -84.59 151.52 24.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1518 ' ' GLN . . . . . 0.487 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 4.0 pt20 -91.04 176.07 6.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 15.2 mm-40 -72.48 154.89 40.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -86.08 131.02 34.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' 1523 ' ' LEU . 89.9 mt 57.93 24.0 10.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.099 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.633 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 25.9 t70 -57.89 107.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' 1521 ' ' LEU . 77.3 mt -100.74 99.01 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -179.719 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 10.0 t -176.14 -18.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.966 179.758 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.2 mt -84.69 137.4 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 69.9 m -90.91 151.88 20.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -56.51 -55.08 38.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.795 179.636 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' 1532 ' ' GLN . 5.5 pt-20 -57.05 -40.22 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.136 179.808 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.7 m -57.45 -39.88 77.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 45.6 ttm105 -77.41 -24.42 50.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.614 ' NZ ' ' HB2' ' A' 1658 ' ' CYS . 26.9 tptp -78.43 -24.53 46.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' 1528 ' ' GLU . 54.8 mt-30 -77.79 5.14 10.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.812 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.764 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 57.9 m -122.73 -25.25 4.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -77.11 1.27 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.228 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 51.2 t -118.87 -22.11 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.764 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.1 mtmt -59.11 155.64 32.57 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.6 -13.79 11.6 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.633 2.222 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.502 ' C ' HD12 ' A' 1539 ' ' ILE . 37.9 tt0 -74.04 -33.94 63.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.845 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.9 mp -109.34 110.91 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.362 -179.496 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.713 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -84.82 -40.34 17.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.029 179.673 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.518 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -127.45 162.19 26.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.616 -179.468 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -154.89 102.25 2.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.801 179.187 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.762 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.4 p90 -144.42 173.87 11.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.118 0.485 . . . . 0.0 111.964 -178.793 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.62 ' HG2' HD12 ' A' 1564 ' ' LEU . 38.2 ttmt -108.04 129.34 55.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.307 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.729 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.4 m -125.96 179.69 3.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.301 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 27.6 t -150.68 116.16 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.606 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 34.0 mm -62.53 147.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 179.717 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 4.4 t -152.12 -9.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 111.654 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.811 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 51.7 m -150.37 133.1 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.936 0.398 . . . . 0.0 111.246 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.4 mt -129.57 134.61 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.847 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 91.3 m -134.84 100.7 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.323 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.756 ' HA ' HG13 ' A' 1557 ' ' VAL . 7.6 p -98.96 123.49 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.667 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.85 -72.41 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.073 -179.654 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -163.05 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.071 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.53 HG13 HG13 ' A' 1586 ' ' VAL . 32.4 t -89.89 -45.39 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.224 -179.883 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' 1584 ' ' LYS . 94.0 m-85 -111.92 117.69 33.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.812 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.756 HG13 ' HA ' ' A' 1552 ' ' VAL . 33.1 t -99.3 125.7 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -92.85 117.56 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.777 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 53.0 m-85 -108.38 110.72 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.852 179.52 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.811 ' HB2' ' HB2' ' A' 1549 ' ' SER . 35.0 mmtp -94.69 115.98 28.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.484 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.83 164.45 26.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.376 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 8.9 m -113.35 132.66 55.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.729 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.7 tp -78.59 105.04 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.523 179.653 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.62 HD12 ' HG2' ' A' 1544 ' ' LYS . 81.6 mt -56.16 -45.62 79.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.254 -179.391 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.4 t70 -174.64 158.64 2.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.658 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.762 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 61.6 mt -103.31 133.63 46.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 112.063 -179.626 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.593 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 96.5 m-85 -107.45 -18.6 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.082 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.522 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 23.6 tptm -153.18 104.7 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.634 179.146 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 15.0 t -44.54 150.67 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.028 0.442 . . . . 0.0 111.703 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.681 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -96.88 140.48 15.08 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.406 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.713 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 40.8 mt-10 -52.15 -32.37 35.47 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.994 0.426 . . . . 0.0 110.106 179.669 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.444 ' HB1' ' CE2' ' A' 1617 ' ' TYR . . . -87.75 45.78 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.758 178.779 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' 1573 ' ' VAL . 7.7 p 41.11 82.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.698 -179.403 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.681 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -86.14 144.47 27.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.59 179.466 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' 1563 ' ' LEU . 39.5 tt0 -130.7 145.23 51.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.74 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -60.05 153.2 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.551 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.593 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.5 p30 46.28 31.19 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.382 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 49.6 p -69.29 -166.89 0.1 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.805 179.579 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -126.89 95.9 4.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.584 179.598 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.639 HD13 HG11 ' A' 1545 ' ' VAL . 25.4 pt -89.63 152.65 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.557 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1581 ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' 1559 ' ' TYR . 8.2 m -135.24 98.2 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.76 179.546 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.777 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 25.6 m-85 -71.48 110.9 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.251 0.548 . . . . 0.0 110.553 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.696 HG13 HD12 ' A' 1618 ' ' ILE . 4.2 mm -89.8 121.72 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.797 -179.605 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.724 ' HG3' ' HB2' ' A' 1588 ' ' CYS . 40.3 ttpt -116.17 152.16 34.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.502 ' NZ ' ' HB2' ' A' 1585 ' ' LYS . 10.0 mtmp? -124.23 177.61 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.53 HG13 HG13 ' A' 1555 ' ' VAL . 27.9 m -62.7 -26.7 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.37 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 81.2 p -75.0 -39.97 60.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.724 ' HB2' ' HG3' ' A' 1584 ' ' LYS . 2.7 m -71.0 89.03 0.78 Allowed 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 7.6 t -105.46 -14.01 15.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.27 -23.42 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.79 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -86.72 103.65 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.135 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -142.51 127.17 18.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.405 HD13 HD11 ' A' 1547 ' ' ILE . 92.3 mt -118.15 163.66 16.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.455 ' CG1' ' HD2' ' A' 1597 ' ' ARG . 3.3 p -130.89 134.55 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.606 ' HA ' ' HB ' ' A' 1547 ' ' ILE . 21.4 pttp -67.69 150.69 48.38 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 95.71 -2.39 64.49 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.455 ' HD2' ' CG1' ' A' 1594 ' ' VAL . 91.8 mtt180 -121.79 174.78 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 111.331 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.607 ' HG3' HH21 ' A' 1632 ' ' ARG . 97.1 mt-30 -120.68 140.76 51.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -136.73 143.07 43.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.411 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 2.1 tm? -91.52 114.26 26.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.024 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.617 HD13 HG22 ' A' 1545 ' ' VAL . 2.4 mp -113.38 122.97 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.057 0.456 . . . . 0.0 111.96 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.673 ' HG3' ' HB3' ' A' 1626 ' ' TRP . 2.7 ptm -145.3 114.16 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.307 178.819 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.845 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -173.67 -169.27 35.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.738 -179.478 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 58.4 tptt -48.19 149.32 1.51 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.765 0.317 . . . . 0.0 111.18 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -61.94 174.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.289 -179.809 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -78.03 177.86 7.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.279 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' 1617 ' ' TYR . 4.0 mm? -95.95 -177.22 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.41 ' HG2' ' CE1' ' A' 1617 ' ' TYR . 78.8 mt-30 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.851 179.769 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' 1607 ' ' LEU . 5.2 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.329 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.696 HD12 HG13 ' A' 1583 ' ' ILE . 33.4 pt -83.44 149.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.798 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' 1582 ' ' PHE . 68.5 m-85 -106.27 109.14 62.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.003 -179.612 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.93 175.76 9.29 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.499 2.133 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' 1582 ' ' PHE . 93.2 mt -130.9 59.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.782 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.5 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 10.3 m-20 -78.37 -165.8 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.015 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.7 p -78.39 -31.41 48.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.753 -179.328 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 2.1 pt? -75.59 4.51 7.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.744 0.306 . . . . 0.0 111.083 -179.575 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 58.9 m -89.7 109.42 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.017 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.673 ' HB3' ' HG3' ' A' 1602 ' ' MET . 30.9 t-105 -78.33 113.73 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.802 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 64.9 mt -120.69 113.01 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.626 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 35.3 tt0 -114.04 150.32 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.492 ' O ' ' HD3' ' A' 1631 ' ' PRO . 27.3 t80 -90.35 122.01 32.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.153 179.423 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -101.95 102.13 22.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' 1629 ' ' TYR . 42.5 Cg_exo -56.84 108.37 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.594 2.196 . . . . 0.0 112.303 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.607 HH21 ' HG3' ' A' 1598 ' ' GLN . 36.0 ttm180 -70.97 -24.48 62.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -88.6 146.92 24.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.451 HG22 HD12 ' A' 1643 ' ' LEU . 81.9 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 49.3 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.787 0.327 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.73 70.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.317 -179.766 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 67.9 t80 -66.44 -45.38 80.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.466 HD21 ' HD2' ' A' 1631 ' ' PRO . 83.5 mt -70.3 -12.6 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.68 -57.99 3.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -69.55 -16.48 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.658 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 58.8 tp -93.89 -18.54 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.629 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.46 -43.99 93.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.04 -49.6 76.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.65 179.733 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 90.4 t80 -66.29 -25.08 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.701 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -62.85 -27.41 69.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.196 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -116.79 -6.01 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' 1656 ' ' ASN . 21.4 t70 -81.19 -9.51 59.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.78 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.434 HD13 ' HE2' ' A' 1531 ' ' LYS . 5.4 tp -107.53 -31.89 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.769 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 44.2 t80 -78.87 -46.7 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.008 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.86 -61.0 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.875 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.0 m-20 -71.48 -72.06 0.24 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.253 -179.48 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.41 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 75.29 -165.62 54.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.353 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A 1658 ' ' CYS . . . . . 0.614 ' HB2' ' NZ ' ' A' 1531 ' ' LYS . 42.6 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 121.028 0.442 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.571 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 29.5 p -70.23 -138.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.189 179.214 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -38.06 -32.37 0.12 Allowed Glycine 0 N--CA 1.457 0.055 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.669 179.157 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 53.6 tt0 66.77 112.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.882 0.373 . . . . 0.0 111.198 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.441 ' HG3' ' H ' ' A' 1592 ' ' GLU . 21.0 mmt -98.43 153.47 18.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.686 179.817 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -100.88 -177.22 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -77.04 164.58 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.223 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -88.74 127.48 35.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 65.0 mt 54.87 86.34 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -117.54 100.49 7.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 64.8 mt -89.47 91.21 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.245 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 9.1 t -177.63 -24.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 72.2 mt -82.98 108.6 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 53.6 m -61.05 153.94 24.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.26 -10.49 58.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.5 mt-10 -90.69 -36.36 14.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.3 m -58.16 -54.76 43.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.714 HH12 HD23 ' A' 1646 ' ' LEU . 4.4 ptm180 -70.92 -11.64 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.831 ' HE2' HD13 ' A' 1653 ' ' ILE . 26.8 tptp -83.39 -30.58 27.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.3 mm-40 -59.92 -17.45 37.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.706 HG23 ' HE2' ' A' 1536 ' ' LYS . 67.5 m -85.96 -29.15 23.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.699 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.09 84.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.251 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.0 t -100.16 8.45 43.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.975 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.764 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 33.6 ttpt -68.09 135.41 91.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.668 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1537 ' ' PRO . . . . . 0.447 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 68.1 Cg_exo -51.48 -53.07 7.71 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.824 2.349 . . . . 0.0 113.126 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.764 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.6 pt-20 -59.19 -16.73 22.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.361 -179.516 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.61 HD12 ' HA2' ' A' 1603 ' ' GLY . 43.4 mm -95.57 142.98 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.031 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -115.0 -65.3 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.473 -179.619 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.514 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 4.7 p90 -99.8 158.54 15.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.761 -179.18 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.75 84.32 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.154 179.267 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.681 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 27.4 p90 -134.71 170.04 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.63 -179.252 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.656 ' HB2' ' HZ2' ' A' 1544 ' ' LYS . 0.0 OUTLIER -114.88 144.66 43.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.232 179.487 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.874 HG12 ' HA ' ' A' 1563 ' ' LEU . 11.3 m -137.89 -177.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.943 0.401 . . . . 0.0 111.392 -179.501 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.43 ' CB ' HD11 ' A' 1564 ' ' LEU . 19.0 t -143.62 128.11 17.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.707 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.509 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 44.0 mm -57.58 133.28 22.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 68.2 p -116.23 -32.64 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.514 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 72.2 m -154.12 148.31 25.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.353 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.6 mt -116.8 111.74 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.81 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1551 ' ' THR . . . . . 0.752 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 61.2 m -92.45 133.12 36.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 11.2 p -145.66 142.31 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -126.02 -74.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -146.38 -66.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 37.2 t -104.15 -52.12 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -72.37 147.09 46.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.417 ' HB ' ' HG3' ' A' 1584 ' ' LYS . 43.6 t -129.31 146.51 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.729 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.752 ' HB2' ' HB ' ' A' 1551 ' ' THR . 94.5 mttt -137.92 155.54 48.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.293 -179.589 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.601 ' HE2' ' HD3' ' A' 1584 ' ' LYS . 99.0 m-85 -142.8 105.16 4.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.797 179.843 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -89.45 129.11 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.327 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -141.23 156.59 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.022 0.439 . . . . 0.0 111.863 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.6 m -97.08 140.77 31.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.825 179.48 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.874 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.2 tt -74.46 126.44 30.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.949 179.236 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.615 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.2 mp -84.33 -45.97 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.755 0.312 . . . . 0.0 110.962 -179.879 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.9 t70 -168.56 145.69 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.681 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 57.0 mt -105.86 119.71 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.746 -179.758 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -91.78 -19.16 22.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.301 0.572 . . . . 0.0 109.622 179.014 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.593 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.4 tttp -149.48 112.25 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.843 179.386 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 95.3 m -45.05 143.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.17 0.51 . . . . 0.0 111.969 -179.146 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.806 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -102.34 137.25 13.26 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.256 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.552 ' HB2' ' HB2' ' A' 1605 ' ' GLU . 12.7 mm-40 -57.6 -20.06 30.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 110.561 179.767 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.447 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -91.22 53.66 2.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.46 179.363 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' 1573 ' ' VAL . 7.2 p 41.53 41.42 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.694 -179.791 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.806 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -62.24 129.58 41.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.936 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.483 ' HB2' ' OG ' ' A' 1578 ' ' SER . 45.4 mt-10 -132.97 143.35 49.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -54.88 122.68 11.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.661 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.696 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.6 t70 67.97 56.13 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.483 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 55.0 m -105.16 -177.85 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.543 179.362 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -109.66 122.57 47.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.39 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.66 HD11 HG11 ' A' 1545 ' ' VAL . 5.5 pt -137.27 137.64 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 112.027 -179.37 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 39.6 m -112.09 132.13 55.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.342 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.442 ' CZ ' HD13 ' A' 1601 ' ' ILE . 29.5 m-85 -113.42 101.38 9.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.416 -179.585 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.752 HG22 ' HG2' ' A' 1558 ' ' LYS . 41.0 pt -88.79 167.21 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.677 ' HB3' HD12 ' A' 1621 ' ' LEU . 14.4 ptmm? -168.17 -177.01 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.952 0.406 . . . . 0.0 111.068 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 94.3 mttt -126.82 158.91 35.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 13.6 p -65.85 -11.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.024 0.44 . . . . 0.0 110.658 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.6 p -60.44 -26.74 66.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.494 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 52.1 t -64.18 134.54 55.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.755 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 12.1 m -126.2 53.42 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -173.44 -10.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.571 ' HB2' ' SG ' ' A' 1514 ' ' CYS . . . -61.87 137.15 58.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.896 0.379 . . . . 0.0 111.388 -179.869 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1592 ' ' GLU . . . . . 0.441 ' H ' ' HG3' ' A' 1517 ' ' MET . 41.1 tt0 -158.01 106.52 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.798 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 97.2 mt -131.4 157.51 43.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.026 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.447 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 66.4 t -134.94 126.3 46.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.017 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' 1595 ' ' LYS . 4.8 tmmm? -65.21 116.67 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.708 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 119.47 -19.02 9.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.52 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 91.9 mtt180 -90.51 177.11 6.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.028 0.442 . . . . 0.0 111.317 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -118.62 144.45 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.761 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -142.04 141.68 32.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.152 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.858 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 62.6 tp -82.69 145.3 29.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.228 179.322 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.442 HD13 ' CZ ' ' A' 1582 ' ' PHE . 82.2 mt -137.79 122.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.066 0.46 . . . . 0.0 111.712 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.435 ' O ' ' HB3' ' A' 1626 ' ' TRP . 56.9 mtp -143.49 112.84 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.05 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.61 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -171.08 -178.29 41.49 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 119.785 -1.198 . . . . 0.0 113.914 -179.321 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.703 ' HD3' ' N ' ' A' 1605 ' ' GLU . 13.7 tmtt? -60.22 157.22 13.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.386 -0.407 . . . . 0.0 111.267 -179.609 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.703 ' N ' ' HD3' ' A' 1604 ' ' LYS . 35.4 tt0 -49.1 156.39 0.54 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.297 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.475 ' N ' ' HG2' ' A' 1605 ' ' GLU . . . -71.9 -169.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.216 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 94.9 mt -88.96 -165.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.235 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.323 -179.746 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.874 0.368 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.598 HD12 HD13 ' A' 1583 ' ' ILE . 31.3 pt -137.08 143.02 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.805 179.625 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 24.5 m-85 -100.41 124.26 43.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.439 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.52 -8.57 19.56 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.624 2.216 . . . . 0.0 112.453 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' 1584 ' ' LYS . 95.6 mt 60.01 103.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.345 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.556 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.8 m-20 -144.19 174.73 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.729 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.0 p -60.09 -13.71 13.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.576 HD11 ' H ' ' A' 1604 ' ' LYS . 0.1 OUTLIER -69.02 -47.59 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 179.755 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' 1624 ' ' LEU . 78.9 m -74.97 115.25 14.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.624 -179.43 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.435 ' HB3' ' O ' ' A' 1602 ' ' MET . 35.9 t-105 -72.75 119.98 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.65 179.557 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.418 HG21 ' SD ' ' A' 1517 ' ' MET . 56.1 mt -118.13 140.73 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.858 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -135.51 153.4 51.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.755 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.52 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 19.4 t80 -92.08 109.61 20.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.485 ' CE2' HD13 ' A' 1646 ' ' LEU . 12.1 t-105 -90.88 108.14 25.71 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.227 179.515 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.704 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 54.7 Cg_exo -51.49 99.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.408 2.072 . . . . 0.0 112.439 -179.626 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.484 ' HD3' ' O ' ' A' 1632 ' ' ARG . 4.2 tmt_? -64.13 -23.56 67.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.653 179.833 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 4.4 p30 -90.49 135.57 33.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.747 HG22 ' HG ' ' A' 1643 ' ' LEU . 79.9 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.981 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.689 ' HB3' HD23 ' A' 1643 ' ' LEU . 6.2 tp-100 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.705 0.288 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -93.59 -86.29 0.26 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.782 0.325 . . . . 0.0 110.561 179.848 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.704 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 31.2 t80 -78.73 -7.56 57.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.747 ' HG ' HG22 ' A' 1634 ' ' THR . 2.6 mm? -70.87 -5.09 27.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.115 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -90.43 -37.89 13.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -78.74 -14.95 59.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.714 HD23 HH12 ' A' 1530 ' ' ARG . 81.9 mt -82.1 -22.59 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.717 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -74.5 -40.35 61.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1648 ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' 1652 ' ' ASP . 39.9 tt0 -66.18 -22.89 66.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.467 ' O ' HG22 ' A' 1653 ' ' ILE . 73.2 t80 -96.12 -24.13 16.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.66 -77.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.461 -179.756 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -21.29 59.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.366 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' 1648 ' ' GLU . 16.7 t70 -59.56 -76.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.176 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.831 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.4 tp -58.41 -29.88 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.016 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 54.5 t80 -67.27 -37.53 83.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.206 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 34.0 tp -105.49 -71.64 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.458 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 11.7 m120 -55.5 -68.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.257 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.692 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 68.69 -172.79 35.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.986 179.939 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.53 0.205 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.521 ' O ' ' HB2' ' A' 1590 ' ' ASN . 40.6 t -51.56 155.76 1.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.432 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 48.66 34.73 15.15 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.603 -178.735 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -48.22 -36.3 13.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.201 -0.499 . . . . 0.0 111.346 -179.54 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 82.8 mtp 55.05 -169.15 0.08 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1518 ' ' GLN . . . . . 0.413 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 12.0 pt20 -131.12 167.54 18.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.77 176.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -96.52 142.05 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' 1523 ' ' LEU . 92.8 mt 57.24 22.59 7.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -56.82 105.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.439 HD23 ' HD1' ' A' 1642 ' ' PHE . 69.1 mt -94.78 5.01 53.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 74.1 p -81.73 3.86 24.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 83.0 mt -122.87 123.01 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.003 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1526 ' ' SER . . . . . 0.422 ' HB3' ' OG1' ' A' 1529 ' ' THR . 38.2 t -81.99 175.24 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -66.71 -56.98 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.777 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.3 mt-10 -63.93 -19.14 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1529 ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' 1526 ' ' SER . 96.3 m -56.71 -42.14 78.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' 1530 ' ' ARG . 27.1 ptt85 -106.78 -16.51 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.777 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 20.4 tptm -66.65 -44.93 80.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.71 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -61.1 -16.47 44.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.039 0.447 . . . . 0.0 110.202 179.538 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.783 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 60.6 m -76.42 -33.84 58.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.56 179.514 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -58.95 -21.57 58.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.776 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 86.6 m -83.73 -26.47 29.7 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.04 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.783 ' HE2' ' HA ' ' A' 1533 ' ' THR . 63.1 mttm -55.62 149.72 29.04 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.72 -18.8 32.24 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.493 2.129 . . . . 0.0 112.086 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.23 -22.96 60.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.624 HG13 HG22 ' A' 1533 ' ' THR . 40.9 mm -95.29 102.17 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.868 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.72 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.385 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.868 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.8 p90 -140.24 162.35 35.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.27 0.557 . . . . 0.0 112.051 -179.48 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1542 ' ' ALA . . . . . . . . . . . . . . . -147.79 96.53 2.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.653 179.307 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.678 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.7 p90 -144.15 -178.75 6.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.393 0.616 . . . . 0.0 112.445 -178.623 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.681 ' HZ2' ' HB3' ' A' 1598 ' ' GLN . 53.9 tttp -118.68 133.47 55.83 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.235 179.631 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.817 HG12 ' HA ' ' A' 1563 ' ' LEU . 24.7 m -131.31 -177.25 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.995 0.426 . . . . 0.0 111.526 -179.58 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 16.4 t -146.46 126.9 14.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' 1561 ' ' ALA . 47.0 mm -70.85 141.35 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.728 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 62.6 p -121.1 -44.55 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.483 -179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 69.5 m -142.52 166.39 24.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 111.412 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.441 HG12 ' HD1' ' A' 1559 ' ' TYR . 79.1 mt -131.12 120.14 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.78 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1551 ' ' THR . . . . . 0.799 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 86.3 m -95.51 121.97 37.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 96.6 t -112.46 123.18 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -110.21 -75.36 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.693 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -168.75 -72.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.67 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 21.8 t -96.85 -35.63 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' 1584 ' ' LYS . 86.4 m-85 -106.93 115.72 30.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' 1583 ' ' ILE . 47.1 t -89.29 144.48 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.878 ' HG2' HG22 ' A' 1583 ' ' ILE . 88.4 mttt -127.97 157.07 41.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 111.305 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.447 ' HE2' ' HZ2' ' A' 1584 ' ' LYS . 97.9 m-85 -140.3 123.34 16.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -94.4 110.09 21.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.565 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -126.93 171.27 11.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.313 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.3 m -128.65 139.63 52.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.817 ' HA ' HG12 ' A' 1545 ' ' VAL . 0.1 OUTLIER -68.78 138.34 54.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.195 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.531 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.6 mp -104.24 -42.24 5.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.066 0.46 . . . . 0.0 110.525 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.0 t70 -168.22 142.24 3.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.863 179.243 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.678 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 39.5 mt -116.48 135.32 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -178.751 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -106.01 -21.32 13.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.428 -0.805 . . . . 0.0 108.976 178.318 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 63.6 tttm -142.65 106.9 4.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.26 179.054 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1569 ' ' THR . . . . . 0.79 HG22 ' H ' ' A' 1571 ' ' GLU . 7.9 m -42.74 150.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.513 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.868 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -94.41 -11.37 57.24 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.759 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.79 ' H ' HG22 ' A' 1569 ' ' THR . 44.1 mt-10 73.16 -34.28 0.29 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 122.349 0.26 . . . . 0.0 111.306 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -94.96 65.08 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.674 179.72 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 97.3 t 51.28 87.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.42 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' 1566 ' ' ILE . . . -137.61 165.07 27.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.834 179.508 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.855 ' HG2' ' HB3' ' A' 1578 ' ' SER . 9.4 pt-20 -171.33 178.25 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.501 179.83 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' 1577 ' ' ASP . 19.1 ptpt -81.41 36.1 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.505 -179.505 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' A' 1563 ' ' LEU . 5.6 p-10 165.46 37.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.408 -179.425 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.855 ' HB3' ' HG2' ' A' 1575 ' ' GLU . 51.7 p -89.57 -168.03 2.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.087 0.47 . . . . 0.0 111.285 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -113.61 132.56 55.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.236 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.749 HD12 ' HE1' ' A' 1582 ' ' PHE . 32.3 pt -133.84 145.48 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.81 -179.409 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 27.1 m -134.12 122.64 23.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.678 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.749 ' HE1' HD12 ' A' 1580 ' ' ILE . 77.0 m-85 -108.05 135.26 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 111.318 -179.772 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.878 HG22 ' HG2' ' A' 1558 ' ' LYS . 48.9 pt -129.68 151.09 35.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.098 179.717 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.788 ' HD3' HD23 ' A' 1621 ' ' LEU . 23.8 pttm -152.66 -179.92 8.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -100.23 -170.3 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 29.6 m -82.15 -18.27 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 73.7 p -90.74 9.63 29.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.549 ' HB3' ' HD2' ' A' 1584 ' ' LYS . 17.8 t -122.39 16.67 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.712 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1589 ' ' THR . . . . . 0.428 ' HA ' ' HE3' ' A' 1584 ' ' LYS . 67.9 p -67.75 -4.85 13.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.382 -179.879 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' 1514 ' ' CYS . 17.0 m120 -58.4 -22.72 54.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -80.4 110.22 15.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -93.68 110.46 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.44 154.96 28.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.76 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 60.2 t -127.91 129.77 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.34 128.43 35.85 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 98.25 8.75 54.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.744 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.76 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 83.3 mtt180 -112.18 175.18 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.368 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.681 ' HB3' ' HZ2' ' A' 1544 ' ' LYS . 96.5 mt-30 -115.56 140.76 48.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.629 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -141.61 154.98 45.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 111.529 -179.682 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.62 HD13 ' N ' ' A' 1601 ' ' ILE . 2.3 tm? -98.02 135.64 39.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.002 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.62 ' N ' HD13 ' A' 1600 ' ' LEU . 61.6 mt -129.6 133.04 65.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.187 0.517 . . . . 0.0 112.021 -179.385 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1602 ' ' MET . . . . . . . . . . . . . 75.1 mtp -148.56 117.85 6.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.258 179.47 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.491 ' HA2' HD13 ' A' 1539 ' ' ILE . . . 167.31 -165.64 38.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 119.907 -1.14 . . . . 0.0 113.65 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -49.84 159.1 0.42 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.984 0.421 . . . . 0.0 111.695 -179.509 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.486 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 12.4 pt-20 -90.34 -169.26 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.411 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -108.18 141.38 40.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.325 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' 1607 ' ' LEU . 0.7 OUTLIER -130.85 104.1 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.336 179.571 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.603 ' HB2' ' HA ' ' A' 1617 ' ' TYR . 69.4 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 0.0 110.983 -178.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.603 ' HA ' ' HB2' ' A' 1608 ' ' GLN . 5.6 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.306 0.574 . . . . 0.0 112.334 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.684 HD12 HD13 ' A' 1583 ' ' ILE . 6.8 pt -148.04 98.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.112 179.302 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' 1582 ' ' PHE . 66.4 m-85 -55.24 130.0 68.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.642 -178.879 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -76.54 143.6 24.52 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.646 2.23 . . . . 0.0 112.117 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.788 HD23 ' HD3' ' A' 1584 ' ' LYS . 36.9 tp -106.65 97.62 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.453 ' HA ' ' SG ' ' A' 1514 ' ' CYS . 9.6 m-20 -120.85 -172.21 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 -179.863 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.1 p -80.71 -17.03 52.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.08 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -32.43 58.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.599 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.479 ' O ' HG13 ' A' 1627 ' ' ILE . 69.1 m -62.17 99.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.087 -179.835 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -59.9 111.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.495 ' HA ' ' O ' ' A' 1600 ' ' LEU . 71.8 mt -125.59 125.72 69.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.413 ' HG3' ' OE1' ' A' 1518 ' ' GLN . 42.4 tt0 -123.94 148.4 46.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.453 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 30.3 t80 -83.6 119.34 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -96.98 115.41 65.72 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.276 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.751 ' HB2' HD11 ' A' 1643 ' ' LEU . 76.4 Cg_exo -49.48 100.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.517 2.145 . . . . 0.0 112.343 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -63.23 -21.72 66.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -130.54 161.04 32.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 111.457 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.436 ' HB ' ' NE2' ' A' 1640 ' ' GLN . 66.6 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.745 179.712 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.494 ' HA ' HD23 ' A' 1643 ' ' LEU . 19.3 mm-40 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.832 0.348 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -73.81 -8.04 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.22 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' 1646 ' ' LEU . 43.7 t80 -106.28 -27.68 10.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.9 mm? -78.96 -52.6 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.998 -179.875 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -63.68 -15.2 57.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 31.8 t30 -95.1 -38.2 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' 1642 ' ' PHE . 11.3 tp -72.83 -25.47 61.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.635 179.874 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.52 -25.91 66.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.395 179.559 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -62.27 -46.36 89.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.584 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 41.1 t80 -55.07 -30.62 60.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.809 179.715 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -70.56 -48.18 56.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.333 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -71.21 -13.58 61.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.401 -179.364 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.0 -68.33 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 111.047 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.56 ' HB ' ' HE3' ' A' 1531 ' ' LYS . 8.2 tp -58.62 -22.09 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.2 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -82.02 -56.7 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.317 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 42.8 tp -80.31 -61.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 -179.395 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -64.31 -73.1 0.13 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.031 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 94.03 173.57 39.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.901 -179.96 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' 1515 ' ' GLY . 8.0 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.777 0.322 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 15.6 p -78.18 25.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.352 0.596 . . . . 0.0 110.351 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.75 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 107.82 79.41 1.18 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.68 -179.242 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -47.0 121.42 3.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.261 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' 1591 ' ' ALA . 0.5 OUTLIER -70.64 140.15 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.019 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.44 167.48 5.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 12.9 mm-40 -63.68 163.77 10.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.998 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1520 ' ' GLU . . . . . 0.432 ' HG2' ' HG ' ' A' 1521 ' ' LEU . 41.3 tt0 -95.22 135.41 36.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' 1523 ' ' LEU . 94.4 mt 58.38 21.8 8.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 23.8 t70 -60.63 101.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.772 179.726 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' 1521 ' ' LEU . 72.9 mt -99.38 95.46 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 7.5 t -175.38 -20.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.06 127.51 39.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.4 t -77.13 160.41 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.9 -14.21 62.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.5 mt-10 -90.61 -32.6 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.1 m -62.7 -37.33 86.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -88.03 -10.69 49.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.698 ' HE3' HD13 ' A' 1653 ' ' ILE . 21.7 tptm -86.81 -34.58 19.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.881 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.3 mt-30 -62.48 -13.39 29.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.401 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 42.5 m -88.84 -26.66 21.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.855 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -66.74 -58.9 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.279 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 37.3 t -69.99 -7.71 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.74 ' HZ2' ' HB3' ' A' 1538 ' ' GLU . 27.0 ttpp -62.94 137.93 97.09 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.706 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1537 ' ' PRO . . . . . 0.678 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 12.3 Cg_endo -55.68 -31.05 78.2 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.815 2.344 . . . . 0.0 112.946 -179.497 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.74 ' HB3' ' HZ2' ' A' 1536 ' ' LYS . 10.3 tp10 -64.7 -25.13 67.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.736 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.839 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -105.14 129.38 57.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.53 -41.56 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.435 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.49 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 1.3 p90 -123.83 159.12 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.21 0.529 . . . . 0.0 112.045 -179.258 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -153.24 110.08 3.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.789 179.326 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.692 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 1.3 p90 -156.71 -178.65 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.198 0.523 . . . . 0.0 112.126 -178.75 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.553 ' HG2' HD12 ' A' 1564 ' ' LEU . 63.3 tttm -114.81 135.15 54.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.171 179.823 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.4 m -129.77 174.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 0.0 111.988 -179.314 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.465 ' HB3' HD11 ' A' 1564 ' ' LEU . 75.1 p -143.68 117.54 9.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.609 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' 1561 ' ' ALA . 43.4 mm -55.25 139.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 72.5 p -128.23 -21.66 3.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.478 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.773 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 40.9 t -153.28 158.68 41.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.171 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.2 mt -144.1 116.69 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 89.4 m -110.62 109.45 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.039 179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.719 ' HA ' HG23 ' A' 1557 ' ' VAL . 3.8 p -106.21 123.48 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1553 ' ' GLU . . . . . 0.556 ' HG3' ' H ' ' A' 1554 ' ' ASN . 8.0 tp10 -110.22 174.61 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.426 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1554 ' ' ASN . . . . . 0.556 ' H ' ' HG3' ' A' 1553 ' ' GLU . 34.8 m-80 -54.31 -23.34 14.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.521 -179.686 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 92.5 t -138.64 -74.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.726 0.298 . . . . 0.0 111.633 -179.773 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -77.18 120.04 21.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.238 -179.428 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.719 HG23 ' HA ' ' A' 1552 ' ' VAL . 4.4 p -107.6 115.18 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.816 ' HG3' HG22 ' A' 1583 ' ' ILE . 11.4 mptt -89.78 155.67 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -135.76 130.48 34.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.011 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.773 ' HB3' ' HB3' ' A' 1549 ' ' SER . 16.3 tppt? -108.17 132.01 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.527 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.477 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -138.76 173.46 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 111.635 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.3 m -124.13 127.62 48.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.87 HD21 HG12 ' A' 1566 ' ' ILE . 5.4 tp -69.99 90.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.6 ' H ' ' HA ' ' A' 1545 ' ' VAL . 87.6 mt -48.8 -45.34 40.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.339 -179.114 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.4 t70 -169.32 153.61 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.669 179.774 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.87 HG12 HD21 ' A' 1563 ' ' LEU . 38.2 mt -100.91 130.13 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.253 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.692 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 86.2 m-85 -109.59 -24.29 11.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.306 0.574 . . . . 0.0 109.496 178.504 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.573 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 58.5 tptt -146.69 106.69 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.582 179.28 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1569 ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' 1574 ' ' ALA . 63.9 m -45.71 134.76 7.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.284 0.564 . . . . 0.0 112.1 -178.894 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.853 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -91.41 131.78 10.95 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.213 179.636 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -59.28 -20.57 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.343 . . . . 0.0 110.799 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.724 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -89.27 44.32 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.638 179.492 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 69.4 t 59.0 95.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.344 -179.723 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.853 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -92.21 144.51 25.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.478 ' HB3' ' HB2' ' A' 1578 ' ' SER . 10.2 tp10 -147.1 138.03 23.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.849 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -55.86 133.77 51.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.133 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.696 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.3 p30 45.6 39.2 4.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.227 0.537 . . . . 0.0 110.912 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.478 ' HB2' ' HB3' ' A' 1575 ' ' GLU . 32.7 t -64.52 -169.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.67 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -123.02 105.22 9.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.617 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.607 HD12 ' HE1' ' A' 1582 ' ' PHE . 36.8 pt -99.33 150.51 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.532 -179.619 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 10.2 m -134.96 105.16 6.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.633 ' HA ' ' O ' ' A' 1619 ' ' TYR . 52.6 m-85 -100.57 117.33 34.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.982 0.42 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.816 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.0 pt -98.88 149.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.047 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.567 ' HB2' HD12 ' A' 1621 ' ' LEU . 36.5 ttpt -133.18 158.98 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.458 ' N ' ' HG2' ' A' 1584 ' ' LYS . 97.4 mttt -108.54 -169.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 27.3 m -95.77 3.7 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 77.8 p -94.31 -5.98 45.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' 1514 ' ' CYS . 42.1 t -84.2 -72.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.595 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 71.8 p 49.0 24.32 0.86 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.072 179.359 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -134.25 -5.61 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 111.1 179.738 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.49 ' HA ' ' SD ' ' A' 1517 ' ' MET . . . -89.06 127.64 35.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -119.47 104.44 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.6 mt -121.22 96.13 4.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.643 179.718 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 43.8 t -74.68 147.7 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.262 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 62.9 tttp -65.3 136.14 56.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.69 33.48 87.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.553 ' HA ' ' HE ' ' A' 1597 ' ' ARG . 2.5 tpm_? -109.8 149.79 29.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.752 0.311 . . . . 0.0 110.749 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.477 ' HB3' ' HZ1' ' A' 1544 ' ' LYS . 89.0 mt-30 -91.09 129.42 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -135.94 150.01 49.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.001 0.429 . . . . 0.0 111.639 -179.772 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' 1601 ' ' ILE . 5.6 tt -98.82 131.4 44.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.832 179.212 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.582 ' N ' HD23 ' A' 1600 ' ' LEU . 90.3 mt -124.88 128.55 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.127 0.489 . . . . 0.0 112.009 -179.263 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.455 ' O ' ' HB3' ' A' 1626 ' ' TRP . 74.3 mtp -148.23 113.5 5.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.32 179.528 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.839 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.69 179.92 48.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.149 -1.024 . . . . 0.0 113.297 -179.746 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.8 tppp? -55.23 158.43 3.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.757 0.313 . . . . 0.0 111.084 -179.802 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.724 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.4 pt-20 -60.91 175.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -72.01 -173.43 1.03 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.6 mt -131.81 114.39 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.479 ' HB3' ' CE1' ' A' 1617 ' ' TYR . 4.5 pp0? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.815 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' 1608 ' ' GLN . 1.9 m-30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.774 0.321 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 2.6 pp -120.05 151.72 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 179.531 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' 1582 ' ' PHE . 25.9 m-85 -99.5 118.73 61.69 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.185 -179.534 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -84.67 -178.03 3.13 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.738 2.292 . . . . 0.0 112.436 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' 1584 ' ' LYS . 62.8 mt -135.78 95.13 3.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.77 179.56 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -116.76 179.53 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.797 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.75 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 47.3 t -74.5 -0.32 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' 1625 ' ' THR . 0.4 OUTLIER -92.59 -34.09 14.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.521 179.79 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.508 ' N ' ' HG ' ' A' 1624 ' ' LEU . 19.1 m -56.15 124.9 19.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.198 -179.647 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.455 ' HB3' ' O ' ' A' 1602 ' ' MET . 45.1 t-105 -91.06 107.58 19.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' 1600 ' ' LEU . 5.3 mp -115.07 127.12 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.691 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.495 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 42.3 tt0 -132.09 114.53 14.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.448 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 15.5 t80 -57.92 120.86 9.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.4 ' HA ' ' HD2' ' A' 1631 ' ' PRO . 4.4 t-105 -98.89 102.39 15.04 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.225 179.694 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.427 ' HG2' HD11 ' A' 1643 ' ' LEU . 9.9 Cg_endo -51.95 98.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.714 2.276 . . . . 0.0 112.378 -179.634 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -61.43 -26.4 67.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.29 132.74 34.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 75.3 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.98 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.839 ' HA ' HD23 ' A' 1643 ' ' LEU . 56.2 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.348 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -59.92 -20.68 58.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.312 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 58.1 t80 -80.05 -30.78 39.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.768 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.839 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -74.31 -14.91 60.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.48 -43.99 79.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -73.59 -21.43 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.723 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.598 HD12 HD13 ' A' 1643 ' ' LEU . 97.3 mt -79.85 -27.73 40.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.11 -28.29 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.723 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.42 2.16 42.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.433 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 89.2 t80 -113.5 -20.11 11.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -76.73 -64.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.49 -33.31 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.635 ' CG ' HD22 ' A' 1656 ' ' ASN . 20.7 t70 -51.8 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.284 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.698 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.2 tp -57.22 -29.49 32.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.312 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1654 ' ' PHE . . . . . 0.546 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 16.5 t80 -71.66 -29.79 65.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.332 -179.697 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.546 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 89.6 mt -103.94 -75.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.501 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.635 HD22 ' CG ' ' A' 1652 ' ' ASP . 4.2 p-10 -76.68 -56.8 4.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.656 -179.351 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.698 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 65.54 -139.4 39.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.406 -179.816 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.259 -0.876 . . . . 0.0 110.851 179.95 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.998 0.428 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' A' 1515 ' ' GLY . 94.6 m -70.25 -140.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.312 179.137 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' 1514 ' ' CYS . . . -40.12 -29.37 0.2 Allowed Glycine 0 N--CA 1.455 -0.076 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.828 179.315 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 68.35 114.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.882 0.373 . . . . 0.0 110.942 179.487 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.497 ' HG2' ' HA ' ' A' 1591 ' ' ALA . 92.5 mmm -83.5 130.41 35.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -75.34 159.92 30.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.24 147.58 47.51 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.08 143.52 39.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' 1523 ' ' LEU . 89.9 mt 58.76 18.76 6.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.192 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.404 ' OD1' HG13 ' A' 1525 ' ' ILE . 14.6 t70 -63.05 100.48 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.747 179.802 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' 1521 ' ' LEU . 64.7 mt -95.53 11.78 31.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.055 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 80.8 p -78.89 -36.47 42.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.404 HG13 ' OD1' ' A' 1522 ' ' ASP . 75.9 mt -74.86 136.36 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.8 m -78.8 177.14 8.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1527 ' ' ALA . . . . . 0.401 ' HB2' ' OD1' ' A' 1645 ' ' ASN . . . -88.41 -11.83 44.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.571 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 43.8 mt-10 -103.56 -23.0 13.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 63.5 m -59.64 -41.83 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.034 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.509 ' NH1' ' HG2' ' A' 1628 ' ' GLU . 13.0 ptp180 -92.59 -14.16 28.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.795 179.851 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.591 ' HE2' HD13 ' A' 1653 ' ' ILE . 26.7 tptp -75.52 -39.31 58.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.053 -179.902 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.8 mt-30 -62.05 -12.6 19.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.969 0.414 . . . . 0.0 110.384 179.57 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.69 HG23 ' HE2' ' A' 1536 ' ' LYS . 61.7 m -92.57 -29.48 16.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.906 179.743 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.17 70.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.288 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.3 t -96.76 -3.22 42.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.707 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 39.3 ttpt -58.42 135.23 85.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.47 -42.47 34.89 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.83 2.353 . . . . 0.0 112.784 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.707 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 0.4 OUTLIER -58.33 -55.57 33.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.202 0.525 . . . . 0.0 110.491 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.681 HG13 HG22 ' A' 1533 ' ' THR . 17.3 mm -61.14 107.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.436 -179.693 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -71.85 -63.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.732 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.568 ' HE1' HG22 ' A' 1601 ' ' ILE . 5.1 p90 -109.29 159.08 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.652 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.49 ' HB3' ' CB ' ' A' 1568 ' ' LYS . . . -147.66 96.72 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.039 179.512 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.763 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.6 OUTLIER -150.88 173.21 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.97 0.414 . . . . 0.0 111.681 -179.107 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.55 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 21.3 pttp -110.62 147.42 34.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.069 179.171 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.833 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.3 m -138.52 -175.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.609 -178.772 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.466 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.9 t -146.37 120.68 9.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.717 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.407 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.4 mm -61.17 139.76 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 62.3 p -121.07 -38.83 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.39 -179.774 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 75.7 m -142.73 150.76 40.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.63 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.9 mt -133.62 136.58 54.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.044 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 69.2 m -140.52 113.79 8.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.609 ' HA ' HG13 ' A' 1557 ' ' VAL . 89.5 t -101.84 129.95 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1553 ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' 1556 ' ' PHE . 45.5 mt-10 -110.09 -164.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.89 -60.45 3.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.677 HG13 HG22 ' A' 1586 ' ' VAL . 33.9 t -129.07 -36.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.843 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' 1553 ' ' GLU . 94.8 m-85 -90.38 103.73 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.042 -179.774 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' 1552 ' ' VAL . 26.2 t -91.65 150.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.646 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.3 mttt -131.45 152.45 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.45 ' CE2' ' HE3' ' A' 1584 ' ' LYS . 98.5 m-85 -138.94 120.26 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 24.3 tptm -98.26 121.12 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.401 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.407 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -139.62 166.5 24.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.984 0.421 . . . . 0.0 111.623 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.6 m -115.29 128.39 56.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.999 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.833 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.2 tp -66.29 112.22 3.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.257 179.445 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.58 ' H ' ' HA ' ' A' 1545 ' ' VAL . 85.5 mt -66.16 -61.19 2.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.281 -179.358 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.564 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.2 t70 -153.94 149.23 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.812 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.763 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 56.4 mt -97.9 135.27 33.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.038 0.447 . . . . 0.0 112.052 -179.442 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' 1542 ' ' ALA . 52.9 m-85 -112.97 -15.56 12.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.321 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 7.3 tmtm? -157.51 106.18 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.285 179.13 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 47.2 m -40.02 143.49 0.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.382 -178.874 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.823 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.53 133.75 11.46 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.32 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.67 -24.13 65.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.774 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -94.59 67.39 3.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.434 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' 1573 ' ' VAL . 7.2 p 36.9 79.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.829 -179.667 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.823 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -107.0 129.73 54.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.844 179.559 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.489 ' O ' HD23 ' A' 1563 ' ' LEU . 45.9 mt-10 -140.09 145.2 37.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.52 127.93 34.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.65 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.617 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.0 t70 64.77 38.0 7.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 40.6 t -91.39 -171.53 2.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.54 179.554 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -108.38 133.67 52.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.583 179.681 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.76 HD12 ' HE1' ' A' 1582 ' ' PHE . 28.8 pt -140.33 149.97 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 111.646 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 34.8 m -142.54 114.54 8.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.753 179.749 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.76 ' HE1' HD12 ' A' 1580 ' ' ILE . 88.9 m-85 -100.31 133.08 45.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.747 HD13 HD12 ' A' 1618 ' ' ILE . 50.1 pt -123.35 146.74 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.537 ' HD3' HD23 ' A' 1621 ' ' LEU . 21.8 pttp -149.26 -168.16 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.002 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -111.02 178.6 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.937 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.677 HG22 HG13 ' A' 1555 ' ' VAL . 24.2 m -90.78 -0.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 67.3 p -72.7 -22.16 60.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.989 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.563 ' HB3' ' HB3' ' A' 1591 ' ' ALA . 75.8 m -58.13 122.11 12.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.74 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 94.3 m -104.16 -39.82 6.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.593 -179.61 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 12.7 m120 -96.13 14.5 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.42 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' 1588 ' ' CYS . . . -100.22 136.23 40.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 179.809 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -161.25 130.05 4.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 91.1 mt -135.87 135.83 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.437 HG12 ' OH ' ' A' 1599 ' ' TYR . 7.1 p -117.39 138.86 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.499 ' NZ ' ' HB2' ' A' 1595 ' ' LYS . 0.0 OUTLIER -72.97 129.74 38.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 -179.881 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 117.39 -51.05 0.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.804 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 168.47 14.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.058 0.456 . . . . 0.0 111.304 -179.733 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.423 ' HG2' HD11 ' A' 1564 ' ' LEU . 99.4 mt-30 -106.01 152.67 23.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.779 179.908 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.437 ' OH ' HG12 ' A' 1594 ' ' VAL . 97.0 m-85 -147.88 145.68 28.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.319 -179.832 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' 1627 ' ' ILE . 57.8 tp -93.95 132.64 38.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.138 179.398 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.568 HG22 ' HE1' ' A' 1541 ' ' TYR . 78.0 mt -127.69 123.28 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.0 0.429 . . . . 0.0 111.926 -179.294 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.417 ' SD ' ' HB1' ' A' 1542 ' ' ALA . 28.1 mtm -140.67 117.62 11.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.053 179.2 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.638 ' N ' HG23 ' A' 1539 ' ' ILE . . . 177.32 -166.39 36.88 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.427 -179.676 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' 1538 ' ' GLU . 73.8 mmtt -51.9 162.14 0.48 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.96 0.41 . . . . 0.0 111.408 -179.799 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.6 pt-20 -81.96 -178.69 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.727 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.498 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -89.88 -179.79 5.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.044 179.73 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' 1607 ' ' LEU . 1.4 pt? -127.97 117.4 21.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.828 -179.943 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.638 0.256 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.747 HD12 HD13 ' A' 1583 ' ' ILE . 16.4 pt 37.92 97.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.114 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.498 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 30.9 m-85 -55.97 140.58 69.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.011 -179.679 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.87 175.57 11.14 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.611 2.207 . . . . 0.0 112.197 179.794 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.537 HD23 ' HD3' ' A' 1584 ' ' LYS . 41.6 tp -154.75 92.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.859 ' HB2' HD12 ' A' 1624 ' ' LEU . 9.6 m-20 -116.8 -160.32 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.777 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 77.6 p -83.68 14.33 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.509 -179.572 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -111.5 -13.47 13.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.726 0.298 . . . . 0.0 110.918 179.798 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.616 ' N ' HD13 ' A' 1624 ' ' LEU . 57.4 m -76.53 118.91 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' A' 1601 ' ' ILE . 69.4 t-105 -81.85 110.89 17.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.509 ' HA ' ' O ' ' A' 1600 ' ' LEU . 68.5 mt -123.27 119.45 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.509 ' HG2' ' NH1' ' A' 1530 ' ' ARG . 10.2 tp10 -123.71 139.52 53.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.98 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.465 ' O ' ' HD3' ' A' 1631 ' ' PRO . 10.6 t80 -65.3 123.38 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -106.67 95.52 12.3 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.24 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 78.3 Cg_exo -50.35 97.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.623 2.216 . . . . 0.0 112.427 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -62.17 -28.92 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -87.63 153.6 21.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 179.991 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.817 ' HA ' HD23 ' A' 1643 ' ' LEU . 13.5 pt20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -66.09 -21.98 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.511 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 30.8 t80 -91.4 -37.06 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.789 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.817 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.9 mm? -64.55 -25.88 68.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -64.18 -31.28 72.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1645 ' ' ASN . . . . . 0.401 ' OD1' ' HB2' ' A' 1527 ' ' ALA . 47.9 t-20 -79.16 -38.78 35.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 88.7 mt -70.43 -22.1 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.57 -47.28 84.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.771 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.4 -33.68 76.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.657 179.767 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.463 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 87.5 t80 -65.38 -36.71 84.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -71.86 -28.44 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.188 -179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -95.37 -4.97 44.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 -179.483 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' 1656 ' ' ASN . 18.8 t70 -96.86 -14.71 21.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.591 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.4 tp -102.3 -30.91 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.734 179.668 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.9 t80 -82.52 -44.45 15.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.857 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.2 tt -90.22 -70.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 -179.74 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' 1652 ' ' ASP . 12.0 m120 -61.26 -40.97 96.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.258 -179.815 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 61.55 -140.01 47.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.387 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.88 179.836 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.488 ' HB3' ' HB2' ' A' 1516 ' ' GLN . 8.6 m-20 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.54 0.21 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' 1588 ' ' CYS . 42.5 t 52.59 30.6 8.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.494 0.664 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.451 ' HA2' ' C ' ' A' 1622 ' ' ASP . . . 122.85 44.3 0.34 Allowed Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.631 -179.141 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.488 ' HB2' ' HB3' ' A' 1513 ' ' ASP . 28.2 tt0 -47.4 132.44 13.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.413 -0.393 . . . . 0.0 111.295 -179.605 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.404 ' HB3' ' HE2' ' A' 1517 ' ' MET . 83.0 mtp -98.06 179.39 4.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.737 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -90.49 158.03 17.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.78 171.83 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.184 -179.8 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -81.26 -152.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.801 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' 1642 ' ' PHE . 86.1 mt -54.89 103.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -147.99 127.94 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' 1641 ' ' ALA . 88.0 mt -85.64 6.78 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 82.4 p -65.06 -30.03 70.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.75 133.36 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1526 ' ' SER . . . . . 0.442 ' HB2' ' OG1' ' A' 1529 ' ' THR . 54.6 m -88.21 -175.55 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -79.43 -62.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.673 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.4 mt-10 -58.26 -27.38 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 -179.895 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1529 ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' 1526 ' ' SER . 89.0 m -58.93 -42.72 90.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -106.78 10.19 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.673 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 25.2 tptp -97.53 -36.04 10.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.763 179.871 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' 1528 ' ' GLU . 96.5 mt-30 -63.31 -10.6 16.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 179.531 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.806 ' HA ' ' HD3' ' A' 1536 ' ' LYS . 58.5 m -82.28 -28.19 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.798 179.61 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.32 -13.99 44.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.049 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 30.5 t -118.73 0.92 11.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.698 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.806 ' HD3' ' HA ' ' A' 1533 ' ' THR . 11.3 mtpp -59.41 156.23 32.05 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.077 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.34 -45.33 18.98 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.724 2.282 . . . . 0.0 112.72 -179.731 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.644 ' HG3' HD12 ' A' 1539 ' ' ILE . 6.2 pt-20 -73.8 3.58 6.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.289 -179.798 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.751 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -116.23 114.09 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.876 0.37 . . . . 0.0 110.751 179.299 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -95.46 -42.14 8.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.245 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.569 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.0 OUTLIER -125.13 164.21 20.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.284 0.564 . . . . 0.0 111.945 -179.424 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -155.06 97.83 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.755 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.604 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 5.5 p90 -139.85 176.54 8.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 0.0 111.83 -178.859 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 61.6 tttm -119.64 134.05 55.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.433 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.828 HG12 ' HA ' ' A' 1563 ' ' LEU . 6.1 m -133.36 177.88 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 111.521 -179.516 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.475 ' HB2' HD11 ' A' 1564 ' ' LEU . 9.5 t -140.16 129.79 24.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.633 179.629 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' 1595 ' ' LYS . 36.6 mm -65.11 140.19 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.778 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 53.2 p -131.62 -22.72 2.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.538 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.637 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 70.0 m -155.79 145.95 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.01 0.433 . . . . 0.0 111.235 -179.518 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.5 mt -130.65 121.27 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.6 m -120.31 139.01 53.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 6.9 p -113.52 136.69 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.914 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -112.59 -165.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.704 179.888 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.7 m120 -57.01 -42.04 79.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' 1556 ' ' PHE . 5.2 m -144.27 -50.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.448 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.567 ' HE1' ' HE2' ' A' 1585 ' ' LYS . 83.9 m-85 -78.82 105.28 10.03 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 111.187 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' 1584 ' ' LYS . 7.7 p -81.64 136.28 23.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.689 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.62 ' HE2' HD12 ' A' 1583 ' ' ILE . 35.1 mmtp -108.77 154.1 22.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.092 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.855 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 91.9 m-85 -136.05 102.02 4.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.717 179.712 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' A' 1549 ' ' SER . 4.5 tppp? -77.47 123.64 26.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -143.39 162.06 36.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.42 . . . . 0.0 111.562 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.5 m -107.16 138.71 42.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.12 179.744 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.828 ' HA ' HG12 ' A' 1545 ' ' VAL . 19.7 tp -79.82 109.9 14.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.603 179.644 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.565 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.6 mp -63.62 -47.97 79.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.158 -179.675 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' 1543 ' ' TYR . 19.3 t70 -169.45 161.06 9.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.604 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 55.7 mt -107.81 124.59 64.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.831 -179.801 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.495 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 96.6 m-85 -99.06 -15.96 18.84 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.515 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.61 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 24.0 tptm -154.63 110.66 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.818 179.324 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 89.0 m -43.67 146.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.889 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.789 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -105.03 135.25 12.45 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.447 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.556 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 14.2 mm-40 -59.53 -27.15 65.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.745 179.825 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -95.03 67.97 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.557 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' 1573 ' ' VAL . 5.7 p 36.88 85.0 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.076 -179.79 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.789 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.46 133.3 51.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.647 179.393 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' 1578 ' ' SER . 10.1 tp10 -145.18 135.2 23.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.644 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 96.3 mttt -50.4 136.29 20.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.591 ' HA ' ' O ' ' A' 1563 ' ' LEU . 16.1 t70 64.91 40.22 5.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.957 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.551 ' H ' ' HB3' ' A' 1563 ' ' LEU . 30.1 t -87.2 -167.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.466 179.524 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -122.52 113.07 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 179.751 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.629 HD13 HG11 ' A' 1545 ' ' VAL . 28.7 pt -110.49 145.84 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.667 -179.552 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 17.8 m -129.97 98.1 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.45 179.374 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.882 ' HB3' HD21 ' A' 1621 ' ' LEU . 25.0 m-85 -65.19 153.69 40.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 -179.67 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.68 HG21 HD12 ' A' 1618 ' ' ILE . 6.1 tt -144.08 106.84 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.812 179.766 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.575 ' HG2' ' N ' ' A' 1585 ' ' LYS . 33.7 ttpt -125.53 161.76 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.828 -179.478 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.575 ' N ' ' HG2' ' A' 1584 ' ' LYS . 0.4 OUTLIER -91.19 136.98 32.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 179.478 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 31.4 m -77.8 9.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 -179.791 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 8.4 t -117.01 9.16 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.29 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' 1514 ' ' CYS . 62.6 m -66.29 -38.76 88.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.995 0.426 . . . . 0.0 111.181 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 6.8 m 56.81 51.97 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.328 179.802 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.458 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 25.3 t-20 -164.83 -71.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.094 179.6 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -61.42 136.55 58.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.007 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -157.74 103.82 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' 1593 ' ' LEU . 3.8 mp -100.09 170.65 8.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.671 179.707 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 7.6 p -136.55 141.18 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' A' 1547 ' ' ILE . 26.6 ttpp -70.44 145.05 51.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 -179.807 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1596 ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' 1632 ' ' ARG . . . 100.02 -31.91 7.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.677 179.871 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.46 168.91 16.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.906 0.384 . . . . 0.0 111.332 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -114.08 144.64 42.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.407 ' CD1' ' HA ' ' A' 1629 ' ' TYR . 94.3 m-85 -138.67 158.98 43.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.027 0.442 . . . . 0.0 111.498 -179.583 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.451 ' C ' HD12 ' A' 1601 ' ' ILE . 59.2 tp -105.89 134.88 48.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.31 179.513 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' 1601 ' ' ILE . 3.3 mp -118.33 131.51 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 111.771 -179.261 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.76 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 75.3 mtp -146.03 107.81 4.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.209 179.5 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.751 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -177.67 -175.0 44.52 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 119.907 -1.139 . . . . 0.0 113.518 -179.575 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' 1605 ' ' GLU . 4.7 tppp? -54.4 161.32 1.43 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.789 0.328 . . . . 0.0 111.26 -179.679 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.556 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.1 pt-20 -58.45 176.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.363 -179.796 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.468 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -76.97 177.01 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.344 -179.785 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.61 HD23 ' HD3' ' A' 1620 ' ' PRO . 4.3 mm? -88.71 -158.55 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.832 179.822 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.657 ' HA ' ' HD1' ' A' 1617 ' ' TYR . 61.7 tt0 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.808 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.657 ' HD1' ' HA ' ' A' 1608 ' ' GLN . 7.5 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.743 0.306 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.68 HD12 HG21 ' A' 1583 ' ' ILE . 36.1 pt -142.0 174.07 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.423 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' 1582 ' ' PHE . 45.1 m-85 -129.12 113.6 18.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.121 -179.535 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1620 ' ' PRO . . . . . 0.61 ' HD3' HD23 ' A' 1607 ' ' LEU . 84.4 Cg_endo -80.45 168.24 18.38 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.789 2.326 . . . . 0.0 112.375 -179.828 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' 1582 ' ' PHE . 2.8 mm? -120.03 97.21 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.451 ' C ' ' HA2' ' A' 1515 ' ' GLY . 10.6 m-20 -125.26 176.44 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 43.2 t -64.69 -25.87 68.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' 1625 ' ' THR . 4.5 pp -72.72 -32.71 65.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.633 179.781 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.539 ' N ' HD12 ' A' 1624 ' ' LEU . 54.5 m -78.62 104.04 8.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.76 ' HB3' ' HB2' ' A' 1602 ' ' MET . 45.0 t-105 -61.68 119.84 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.862 179.902 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.527 HD11 HD12 ' A' 1621 ' ' LEU . 60.7 mt -127.65 108.92 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.786 179.849 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -114.89 147.68 39.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.407 ' HA ' ' CD1' ' A' 1599 ' ' TYR . 12.3 t80 -90.35 110.09 21.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.728 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.0 t90 -98.13 107.12 39.36 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.259 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.46 ' HB2' HD21 ' A' 1643 ' ' LEU . 71.6 Cg_exo -48.49 106.48 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.593 2.195 . . . . 0.0 112.499 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.425 ' HD2' ' O ' ' A' 1596 ' ' GLY . 78.5 ttt180 -52.56 -33.86 47.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.023 179.831 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.25 168.49 10.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.843 HG22 HD13 ' A' 1643 ' ' LEU . 64.1 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.51 ' HG2' HD12 ' A' 1643 ' ' LEU . 49.8 mt-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1641 ' ' ALA . . . . . 0.418 ' O ' HD21 ' A' 1523 ' ' LEU . . . -61.18 -22.79 65.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.61 ' HB3' HD22 ' A' 1521 ' ' LEU . 77.4 t80 -117.59 -14.17 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.639 179.888 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.843 HD13 HG22 ' A' 1634 ' ' THR . 62.8 mt -81.72 5.23 19.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -106.64 -56.67 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -64.29 -22.02 66.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.404 HD22 ' CE2' ' A' 1642 ' ' PHE . 57.5 tp -85.52 -23.58 27.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.728 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.06 -38.11 78.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.594 179.881 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.28 -32.9 73.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.64 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.662 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 75.9 t80 -61.89 -35.09 77.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.31 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.203 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -78.54 -5.4 52.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.162 -179.441 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.417 ' OD1' ' HG2' ' A' 1531 ' ' LYS . 17.2 t70 -96.69 -9.85 28.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.721 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.877 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 8.3 tp -118.18 -21.14 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.128 0.489 . . . . 0.0 110.464 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -87.38 -30.21 20.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.005 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.421 ' C ' HD13 ' A' 1655 ' ' LEU . 2.6 tm? -99.24 -72.95 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.078 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -82.97 -39.41 21.4 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.705 -179.198 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.877 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 62.3 -132.89 45.34 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.409 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.901 179.893 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.419 ' HA ' HD22 ' A' 1590 ' ' ASN . 5.3 p-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.965 0.412 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.705 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 18.2 t -86.24 126.88 34.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.65 179.717 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 86.7 -50.63 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.098 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 55.19 100.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.349 . . . . 0.0 111.37 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.473 ' HE3' ' N ' ' A' 1592 ' ' GLU . 26.4 mmt -90.6 150.39 21.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -93.0 165.3 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.648 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 46.2 mt-10 -64.76 153.82 38.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.9 133.46 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' 1523 ' ' LEU . 86.6 mt 57.82 22.46 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.648 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 21.9 t70 -60.39 103.81 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.762 179.858 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' 1521 ' ' LEU . 74.7 mt -102.74 97.47 7.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.5 t -174.54 -19.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.999 179.892 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 63.5 mt -76.89 137.76 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 49.0 m -76.09 177.92 6.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -89.52 -3.78 58.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' 1532 ' ' GLN . 15.4 mm-40 -104.07 -23.43 13.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.039 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 61.9 m -67.23 -37.04 82.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -98.51 8.47 44.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.573 ' HE2' HD13 ' A' 1653 ' ' ILE . 26.3 tptp -106.35 -42.1 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.998 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.2 mt-30 -61.6 -18.8 60.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.969 0.414 . . . . 0.0 110.508 179.676 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.732 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 41.6 m -79.2 -25.08 42.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.809 179.754 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -65.82 -54.35 28.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 179.853 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1535 ' ' CYS . . . . . 0.481 ' HA ' ' HE3' ' A' 1568 ' ' LYS . 34.2 t -84.67 9.58 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.688 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.732 ' HE3' ' HA ' ' A' 1533 ' ' THR . 3.5 tppp? -57.44 135.34 81.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.83 -22.35 23.39 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.511 2.141 . . . . 0.0 112.112 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.779 ' HG3' ' HE2' ' A' 1604 ' ' LYS . 33.7 tt0 -86.86 -58.54 2.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.818 179.794 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.889 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.8 mp -59.43 121.61 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.093 -179.79 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.568 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -83.59 -60.71 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.474 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.513 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.6 p90 -107.13 155.63 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.09 0.472 . . . . 0.0 111.671 -179.412 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.08 100.52 3.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.382 179.8 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.788 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.8 p90 -155.05 170.38 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.028 0.442 . . . . 0.0 111.683 -179.444 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 65.8 pttt -106.92 141.35 38.27 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.164 179.407 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' 1563 ' ' LEU . 19.5 m -136.91 -173.82 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.638 -179.363 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.593 ' HB2' ' HG3' ' A' 1598 ' ' GLN . 23.3 t -152.2 128.27 10.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.77 179.763 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.449 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 43.1 mm -61.95 137.54 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.72 179.906 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1548 ' ' THR . . . . . 0.467 ' O ' ' HE2' ' A' 1595 ' ' LYS . 70.4 p -133.49 -13.03 2.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.68 -179.591 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.685 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 41.3 t -154.64 154.44 32.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 111.497 -179.911 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.459 HG12 ' HD1' ' A' 1559 ' ' TYR . 78.4 mt -141.16 140.06 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 83.3 m -147.6 116.58 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.7 p -96.15 140.84 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -109.68 -168.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.746 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1554 ' ' ASN . . . . . 0.498 ' ND2' HG23 ' A' 1555 ' ' VAL . 16.7 p-10 -59.49 -59.36 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.604 HG12 ' HB ' ' A' 1586 ' ' VAL . 25.3 t -113.4 -49.95 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.078 -179.672 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -84.14 176.6 8.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.043 -179.893 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.85 ' HB ' ' HB3' ' A' 1584 ' ' LYS . 13.1 t -135.34 161.53 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.552 179.892 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.916 ' HG2' HG22 ' A' 1583 ' ' ILE . 96.7 mttt -142.61 143.54 32.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.459 ' HD1' HG12 ' A' 1550 ' ' ILE . 94.1 m-85 -133.19 131.71 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.685 ' HB3' ' HB3' ' A' 1549 ' ' SER . 4.9 tmtp? -109.58 100.97 9.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.353 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.412 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -113.13 168.05 10.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.527 -179.541 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.8 m -113.57 138.2 50.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.91 179.527 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.894 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.4 tt -73.49 137.79 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.85 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.607 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.1 mp -94.72 -47.72 6.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.8 t70 -165.54 137.52 4.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.788 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 69.0 mt -97.2 125.37 50.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.972 0.415 . . . . 0.0 111.866 -179.595 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.491 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 83.3 m-85 -98.98 -12.81 20.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.404 178.629 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.572 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 64.8 tttm -160.39 112.48 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.95 179.393 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 14.3 t -46.51 156.68 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 111.774 -179.371 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.577 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.76 140.91 15.08 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.161 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.568 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 38.5 mt-10 -51.88 -30.51 24.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 0.0 110.221 179.669 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -92.9 47.73 1.3 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.77 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' 1573 ' ' VAL . 7.6 p 41.22 84.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.796 -179.349 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.577 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -84.73 135.12 34.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.629 179.671 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' 1578 ' ' SER . 41.1 tt0 -114.97 139.41 49.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.835 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.495 ' HB3' ' NZ ' ' A' 1576 ' ' LYS . 5.9 ttpm? -61.25 125.39 23.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.31 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.718 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.3 t70 65.83 28.63 10.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.075 0.464 . . . . 0.0 110.807 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.707 ' HB2' ' HB3' ' A' 1575 ' ' GLU . 30.5 t -71.36 -178.46 2.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.621 179.385 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -103.86 104.66 14.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.655 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.706 HD13 HG11 ' A' 1545 ' ' VAL . 32.2 pt -94.87 146.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.341 -179.673 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1581 ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' 1559 ' ' TYR . 39.8 m -137.1 105.48 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.808 179.662 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.665 ' HE1' HD12 ' A' 1580 ' ' ILE . 62.2 m-85 -101.64 121.91 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 -179.783 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.916 HG22 ' HG2' ' A' 1558 ' ' LYS . 43.4 pt -97.57 128.59 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 179.799 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.85 ' HB3' ' HB ' ' A' 1557 ' ' VAL . 40.8 ttmt -92.46 152.17 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.921 -179.797 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.481 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 97.4 mttt -92.85 178.98 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.635 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.604 ' HB ' HG12 ' A' 1555 ' ' VAL . 9.0 p -89.04 4.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.46 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.8 p -109.75 -36.32 5.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.409 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.705 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.1 m -58.97 101.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.029 -179.815 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 6.9 t -105.42 -29.63 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.07 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.419 HD22 ' HA ' ' A' 1513 ' ' ASP . 3.3 p30 -83.63 -24.02 31.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -83.56 103.87 13.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1592 ' ' GLU . . . . . 0.473 ' N ' ' HE3' ' A' 1517 ' ' MET . 21.5 mm-40 -121.61 151.08 40.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.967 -179.859 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' 1559 ' ' TYR . 95.9 mt -130.06 114.73 16.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 179.81 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 59.7 t -96.03 139.18 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 -179.896 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.467 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.6 tttm -80.15 139.84 36.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.817 179.887 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 111.94 -68.72 0.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.53 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.464 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 14.7 ptp180 -66.42 178.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.726 HE22 ' HA ' ' A' 1632 ' ' ARG . 1.0 OUTLIER -110.07 165.52 11.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 111.3 -179.615 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.464 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 71.9 m-85 -149.63 134.04 17.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.685 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 60.4 tp -79.29 132.17 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.276 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.513 HG22 ' HE1' ' A' 1541 ' ' TYR . 44.5 mm -123.33 119.01 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.986 0.422 . . . . 0.0 111.689 -179.467 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.485 ' HE2' ' HB ' ' A' 1533 ' ' THR . 77.8 mtp -141.23 113.22 7.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.255 179.495 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.889 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 177.57 -170.29 42.67 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.006 -1.092 . . . . 0.0 113.425 -179.636 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.779 ' HE2' ' HG3' ' A' 1538 ' ' GLU . 65.6 mmtt -50.54 157.96 0.68 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.861 0.362 . . . . 0.0 111.258 -179.915 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -71.9 -179.88 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.782 179.899 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -90.44 155.79 18.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.84 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' 1617 ' ' TYR . 8.6 mp -60.37 174.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.837 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.728 ' HG3' ' HE1' ' A' 1617 ' ' TYR . 59.5 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.701 -179.758 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.728 ' HE1' ' HG3' ' A' 1608 ' ' GLN . 11.3 m-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.803 0.335 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 47.2 mm -125.27 131.12 72.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -92.65 108.22 29.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.0 171.92 16.96 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.555 2.17 . . . . 0.0 112.458 -179.891 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' 1582 ' ' PHE . 99.0 mt -143.92 110.14 5.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' 1624 ' ' LEU . 5.5 p-10 -141.43 -160.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.053 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.3 p -82.51 42.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.614 -179.504 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' 1625 ' ' THR . 0.0 OUTLIER -143.47 -17.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 179.636 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.491 ' N ' HD23 ' A' 1624 ' ' LEU . 40.0 m -73.05 118.86 16.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.267 -179.777 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.401 ' HB3' ' HB2' ' A' 1602 ' ' MET . 54.6 t-105 -84.55 100.6 11.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.627 179.84 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.0 mt -112.64 128.28 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.685 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 40.8 tt0 -128.17 155.96 43.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 22.6 t80 -90.75 114.69 27.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.821 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.687 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 5.2 t-105 -94.71 111.21 53.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.371 179.625 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.529 ' HB2' HD21 ' A' 1643 ' ' LEU . 79.4 Cg_exo -47.56 104.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.47 2.113 . . . . 0.0 112.548 -179.807 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.726 ' HA ' HE22 ' A' 1598 ' ' GLN . 79.7 ttt180 -59.35 -27.43 65.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.792 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.11 146.47 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.521 HG22 ' HG ' ' A' 1643 ' ' LEU . 71.1 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.548 ' HA ' HD23 ' A' 1643 ' ' LEU . 4.8 tp-100 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.776 0.322 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -54.45 -33.18 59.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.533 -179.495 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 36.6 t80 -68.52 -40.97 80.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 110.817 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.9 mm? -67.7 -17.95 64.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.03 -49.74 22.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.86 -14.17 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.651 179.848 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 59.5 tp -96.29 -22.29 17.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.67 -33.76 73.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.22 -40.0 88.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.691 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.524 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 84.1 t80 -64.55 -30.38 71.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -66.67 -58.51 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.349 -179.868 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -70.64 -8.69 53.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.272 -179.451 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -77.22 -71.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.722 HD12 ' HA2' ' A' 1657 ' ' GLY . 7.0 tp -57.7 -29.96 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.413 . . . . 0.0 110.998 179.869 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.06 -49.68 59.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.98 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.67 -71.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.648 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 12.3 m120 -56.82 -72.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.226 -179.871 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.722 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.3 -176.36 47.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 -179.865 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.893 -179.969 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.813 0.339 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 12.0 p -88.89 21.44 3.08 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.468 0.651 . . . . 0.0 110.144 179.595 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.829 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 132.44 78.2 0.14 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.246 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -54.37 103.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.526 ' HE3' ' H ' ' A' 1592 ' ' GLU . 21.6 ptp -69.13 168.04 14.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.47 -178.32 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.98 -178.7 1.04 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.74 -88.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 67.1 mt -98.16 100.73 12.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -145.83 110.26 5.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 48.3 mt -78.6 6.11 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.639 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 74.4 p -67.16 -21.59 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 66.5 mt -98.46 135.8 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1526 ' ' SER . . . . . 0.414 ' HB3' ' OG1' ' A' 1529 ' ' THR . 47.4 t -91.4 165.1 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -68.16 -24.33 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.2 mt-10 -93.59 -26.77 16.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1529 ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' 1526 ' ' SER . 79.1 m -61.7 -41.88 98.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.45 ' NH1' ' HG2' ' A' 1628 ' ' GLU . 16.0 ptp180 -85.79 -11.06 54.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.553 ' HD3' ' O ' ' A' 1531 ' ' LYS . 1.3 tmtp? -83.81 -26.84 29.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.48 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.0 mm-40 -53.53 -22.61 8.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 179.628 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.921 ' HA ' ' HD3' ' A' 1536 ' ' LYS . 62.4 m -82.53 -34.93 27.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.741 179.61 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.461 ' HA ' HG21 ' A' 1539 ' ' ILE . . . -63.06 -10.56 14.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1535 ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 44.2 t -120.38 65.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.056 0.455 . . . . 0.0 110.739 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.921 ' HD3' ' HA ' ' A' 1533 ' ' THR . 14.9 mtpp -143.37 155.68 60.96 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.01 -34.53 80.36 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.627 ' HG3' HD12 ' A' 1539 ' ' ILE . 4.4 pt-20 -77.3 -6.07 51.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.88 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.1 mp -110.27 115.74 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.645 179.331 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -92.96 -54.95 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.696 -179.783 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.506 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 3.9 p90 -116.46 167.91 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.234 0.54 . . . . 0.0 112.171 -178.915 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.691 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -159.0 107.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.798 179.095 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.57 ' HA ' ' HD1' ' A' 1567 ' ' TYR . 1.2 p90 -157.83 178.32 10.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.133 0.492 . . . . 0.0 111.774 -178.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' 1564 ' ' LEU . 26.8 ttpp -109.61 132.06 54.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.315 179.732 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.855 HG12 ' HA ' ' A' 1563 ' ' LEU . 29.9 m -131.53 178.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.491 -179.674 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.505 ' HB3' HD21 ' A' 1564 ' ' LEU . 22.9 t -147.95 124.88 11.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.716 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.687 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.8 mm -61.53 145.81 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 -179.896 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 6.9 t -150.1 -10.37 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.256 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.716 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 54.4 m -145.61 137.07 25.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.036 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.508 HG12 ' HD1' ' A' 1559 ' ' TYR . 74.3 mt -135.57 128.87 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.1 m -114.78 110.38 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 90.2 t -110.43 122.52 65.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.666 179.604 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -108.81 -68.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 46.6 t30 -165.63 -58.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 27.7 t -109.96 -50.98 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -87.29 120.03 28.15 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.901 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 44.4 t -109.28 147.93 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.841 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.3 mttt -131.65 152.97 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.014 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.508 ' HD1' HG12 ' A' 1550 ' ' ILE . 97.2 m-85 -137.4 98.71 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.716 ' HB2' ' HB2' ' A' 1549 ' ' SER . 61.1 mttp -85.95 126.15 33.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.335 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.687 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -132.42 177.93 7.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 111.718 -179.442 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -117.64 145.71 44.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.733 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.855 ' HA ' HG12 ' A' 1545 ' ' VAL . 15.8 tp -77.71 119.61 21.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.971 0.415 . . . . 0.0 110.289 179.181 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' 1545 ' ' VAL . 0.7 OUTLIER -78.32 -38.39 42.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.773 -179.681 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.539 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.4 t70 -172.71 146.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.592 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.783 HG12 HD21 ' A' 1563 ' ' LEU . 52.8 mt -90.49 130.52 39.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.745 -179.767 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.57 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 64.6 m-85 -111.52 -19.8 12.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.128 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.691 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 63.4 tttm -160.3 107.05 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.568 179.116 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 41.7 m -40.81 141.12 0.62 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.055 -179.167 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.775 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -104.22 135.26 12.36 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.397 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.05 -19.25 51.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.47 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -85.03 54.1 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.434 179.336 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' 1573 ' ' VAL . 9.3 p 42.89 39.4 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.594 -179.804 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.775 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -63.37 136.69 57.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.77 179.664 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.59 ' C ' HD11 ' A' 1566 ' ' ILE . 12.8 pt-20 -145.99 154.38 41.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.767 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.592 ' N ' HD11 ' A' 1566 ' ' ILE . 55.8 mtpt -47.01 131.23 12.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.308 -179.508 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.668 ' HA ' ' O ' ' A' 1563 ' ' LEU . 5.5 p-10 42.5 63.36 1.44 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.484 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.631 ' H ' ' HB3' ' A' 1563 ' ' LEU . 51.9 p -98.98 -167.35 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.744 179.662 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -111.54 133.1 54.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.517 179.607 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.792 HD12 ' HE2' ' A' 1582 ' ' PHE . 16.5 pt -134.2 149.7 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.455 -179.464 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 27.6 m -136.62 102.08 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.838 179.703 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.792 ' HE2' HD12 ' A' 1580 ' ' ILE . 78.5 m-85 -93.7 114.99 27.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.167 -179.881 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.841 HG22 ' HG2' ' A' 1558 ' ' LYS . 42.7 pt -100.84 144.85 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.632 ' HE3' ' HB3' ' A' 1588 ' ' CYS . 0.1 OUTLIER -149.91 162.44 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 -179.798 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -86.38 156.1 20.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.7 p -61.71 -27.61 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.9 p -63.93 -23.75 67.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.632 ' HB3' ' HE3' ' A' 1584 ' ' LYS . 34.3 t -63.4 91.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 8.8 t -104.75 -0.76 27.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -97.03 -24.5 15.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.034 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.618 ' HB3' ' SG ' ' A' 1588 ' ' CYS . . . -118.93 106.15 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.227 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1592 ' ' GLU . . . . . 0.526 ' H ' ' HE3' ' A' 1517 ' ' MET . 41.2 tt0 -125.18 142.47 51.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.73 179.911 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.61 HD13 HD11 ' A' 1547 ' ' ILE . 80.4 mt -116.31 158.1 23.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.832 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.468 ' HB ' ' HB2' ' A' 1597 ' ' ARG . 47.0 t -119.88 139.56 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.035 -179.871 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 62.8 tttp -63.82 107.1 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.611 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 90.93 43.53 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.181 -179.726 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.512 ' HB3' ' CE2' ' A' 1599 ' ' TYR . 10.6 tpt180 -127.56 145.53 50.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.608 0.242 . . . . 0.0 110.741 -179.789 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -91.55 129.88 37.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' 1597 ' ' ARG . 73.4 m-85 -137.39 159.25 42.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.259 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.519 HD23 ' N ' ' A' 1601 ' ' ILE . 3.0 tt -102.61 129.59 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.884 179.396 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.519 ' N ' HD23 ' A' 1600 ' ' LEU . 93.8 mt -134.73 126.95 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.093 0.473 . . . . 0.0 112.087 -179.212 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.59 ' HG3' ' HB3' ' A' 1626 ' ' TRP . 0.2 OUTLIER -153.65 115.42 4.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.425 178.898 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.88 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 173.99 -157.25 25.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.333 -179.699 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 23.0 tptm -44.6 154.07 0.14 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.017 0.437 . . . . 0.0 111.956 -179.302 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.7 pt-20 -92.53 -167.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.403 ' HB2' ' HA ' ' A' 1619 ' ' TYR . . . -119.59 124.56 46.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.032 179.811 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.475 ' N ' HD22 ' A' 1607 ' ' LEU . 3.4 mm? -108.46 108.63 19.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.771 ' HG3' ' H ' ' A' 1618 ' ' ILE . 17.8 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.099 0.476 . . . . 0.0 110.634 -179.723 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.606 ' HD1' ' HB2' ' A' 1608 ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.899 0.38 . . . . 0.0 111.091 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.771 ' H ' ' HG3' ' A' 1608 ' ' GLN . 38.8 pt -120.49 128.31 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.494 179.349 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' 1582 ' ' PHE . 6.1 m-85 -82.42 127.29 71.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.166 -179.188 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -77.36 170.61 19.13 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.586 2.191 . . . . 0.0 112.243 179.8 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' 1584 ' ' LYS . 29.5 tp -139.68 94.94 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -122.93 -172.9 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.829 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 47.3 t -83.27 7.24 16.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' 1625 ' ' THR . 4.6 pp -92.78 -30.81 15.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 179.828 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.606 ' N ' HD12 ' A' 1624 ' ' LEU . 52.9 m -79.65 134.06 36.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.343 -179.645 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.59 ' HB3' ' HG3' ' A' 1602 ' ' MET . 59.5 t-105 -77.69 127.62 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.519 HD11 HD11 ' A' 1621 ' ' LEU . 60.8 mt -132.71 114.55 22.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.831 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.45 ' HG2' ' NH1' ' A' 1530 ' ' ARG . 9.9 tp10 -130.48 118.13 20.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.502 ' HA ' ' HD1' ' A' 1599 ' ' TYR . 29.2 t80 -56.68 132.59 52.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 179.897 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -100.39 104.24 28.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.216 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.707 ' HB2' HD11 ' A' 1643 ' ' LEU . 74.6 Cg_exo -49.35 102.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.633 2.222 . . . . 0.0 112.581 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -77.59 -26.1 50.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -90.98 132.1 36.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.933 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.692 ' HA ' HD23 ' A' 1643 ' ' LEU . 47.8 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.815 0.341 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.73 69.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.229 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' 1646 ' ' LEU . 56.2 t80 -70.95 -36.71 72.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -66.41 -42.01 88.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.83 92.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.007 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.1 -30.18 71.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' 1642 ' ' PHE . 92.0 mt -70.55 -29.71 66.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.696 179.768 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.53 -32.45 73.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.553 179.663 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.93 -31.69 71.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.595 179.666 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.494 ' O ' HG22 ' A' 1653 ' ' ILE . 77.0 t80 -74.25 -33.75 63.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.707 179.824 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.58 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.425 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -99.65 -4.67 30.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.508 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' 1656 ' ' ASN . 19.8 t70 -95.59 -13.98 23.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.494 HG22 ' O ' ' A' 1649 ' ' PHE . 9.5 tp -111.41 -25.65 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.817 179.865 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.3 t80 -85.91 -50.11 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' 1655 ' ' LEU . 4.9 tt -73.67 -48.31 33.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.527 -179.578 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.547 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.1 m-20 -78.37 -71.37 0.43 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.145 -179.626 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 66.58 86.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.398 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A 1658 ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 42.9 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.46 ' HA ' ' CG ' ' A' 1590 ' ' ASN . 8.3 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.566 0.222 . . . . 0.0 111.371 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.581 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 37.0 t 48.84 78.75 0.08 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.063 0.459 . . . . 0.0 110.236 -179.34 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 102.28 43.62 2.0 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.607 -179.089 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.422 ' HG2' ' HB3' ' A' 1513 ' ' ASP . 95.8 mt-30 -45.5 109.34 0.17 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.414 -0.393 . . . . 0.0 111.115 -179.64 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' 1590 ' ' ASN . 19.0 ptp -100.42 -176.8 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -103.78 173.58 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -83.74 42.63 0.86 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 58.54 -90.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.066 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 32.9 mt -105.38 96.66 6.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -142.97 122.26 13.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 179.673 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' 1525 ' ' ILE . 84.9 mt -77.61 -133.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.471 179.839 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 43.5 p 52.25 20.62 1.4 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.739 0.305 . . . . 0.0 111.482 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' 1523 ' ' LEU . 78.6 mt -131.28 107.21 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 179.85 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 79.9 p -73.11 174.44 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -79.33 -5.59 54.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -100.14 -2.42 34.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.1 m -85.9 -31.28 22.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' 1530 ' ' ARG . 46.1 mtm180 -99.3 -32.17 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1531 ' ' LYS . . . . . . . . . . . . . 60.7 tttm -57.13 -40.37 76.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.16 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' 1536 ' ' LYS . 29.4 mm-40 -58.76 -23.15 59.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.052 0.453 . . . . 0.0 110.055 179.387 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.547 ' HB ' ' HE2' ' A' 1602 ' ' MET . 56.4 m -87.62 -22.84 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.455 179.508 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.551 ' HA ' ' HB2' ' A' 1542 ' ' ALA . . . -76.54 0.8 18.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.052 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 10.7 t -150.04 9.52 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.605 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.797 ' HB3' HG12 ' A' 1539 ' ' ILE . 36.9 ttmt -66.66 138.99 95.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.693 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.31 -49.49 14.19 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.627 2.218 . . . . 0.0 112.719 -179.814 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.87 -29.69 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.114 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.931 HD12 ' HA2' ' A' 1603 ' ' GLY . 28.7 mm -82.26 139.03 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 111.081 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.401 ' HB3' ' N ' ' A' 1605 ' ' GLU . . . -107.84 -18.26 13.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.467 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.671 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.7 p90 -158.34 160.06 36.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.478 0.656 . . . . 0.0 112.457 -179.214 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.669 ' N ' ' HB3' ' A' 1568 ' ' LYS . . . -149.27 89.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.557 179.262 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.628 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.2 OUTLIER -131.19 169.57 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.215 0.531 . . . . 0.0 112.378 -178.303 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 86.7 tttt -104.12 109.8 21.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.155 179.512 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.811 HG21 HD12 ' A' 1601 ' ' ILE . 1.9 t -94.08 176.73 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.002 -179.243 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.719 ' H ' HG12 ' A' 1545 ' ' VAL . 88.1 p -155.74 103.98 2.3 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.551 179.572 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.796 HD13 ' HB2' ' A' 1561 ' ' ALA . 50.4 mm -50.48 137.45 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.817 0.341 . . . . 0.0 111.262 -179.719 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1548 ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' 1561 ' ' ALA . 4.5 t -141.61 -14.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.446 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.775 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 36.9 t -147.81 149.35 32.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 0.0 111.276 179.879 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -146.22 141.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.9 m -147.58 98.47 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.46 ' HA ' HG23 ' A' 1557 ' ' VAL . 7.0 p -96.97 140.8 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.3 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -113.15 -169.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -62.78 -23.46 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.843 HG13 ' H ' ' A' 1556 ' ' PHE . 1.3 p -138.64 -79.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.843 ' H ' HG13 ' A' 1555 ' ' VAL . 95.8 m-85 -64.17 142.99 58.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.908 179.742 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' 1552 ' ' VAL . 10.3 p -126.1 141.98 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.678 ' HG3' HG22 ' A' 1583 ' ' ILE . 11.1 mptt -114.54 150.37 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 -179.724 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.556 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 89.8 m-85 -140.07 101.43 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 179.714 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.775 ' HB2' ' HB3' ' A' 1549 ' ' SER . 95.8 mttt -90.76 139.62 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.507 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.796 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -143.93 175.12 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.035 0.445 . . . . 0.0 111.53 -179.625 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 15.8 m -118.6 134.67 54.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.798 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.691 HD13 HD11 ' A' 1566 ' ' ILE . 44.5 mt -76.0 96.11 3.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' 1546 ' ' SER . 70.6 mt -57.39 -31.27 65.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.894 0.378 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.626 ' O ' ' HB2' ' A' 1543 ' ' TYR . 22.0 t70 -170.33 168.2 8.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.428 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.691 HD11 HD13 ' A' 1563 ' ' LEU . 47.5 mt -139.67 120.22 14.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.63 179.795 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -96.92 -32.58 11.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.167 0.508 . . . . 0.0 109.927 179.057 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.669 ' HB3' ' N ' ' A' 1542 ' ' ALA . 56.8 tptt -124.5 106.99 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.757 179.031 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 57.9 m -47.19 139.56 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.903 -179.079 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.863 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -91.3 127.88 9.08 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.437 179.901 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.62 -25.59 64.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.638 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.493 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -91.6 42.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.594 179.439 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 72.3 t 59.3 93.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.4 -179.803 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.863 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -126.46 125.3 41.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.363 179.435 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -131.28 159.46 37.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.321 -179.409 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.29 121.02 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.561 179.772 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.551 ' HA ' ' O ' ' A' 1563 ' ' LEU . 21.1 t70 61.07 67.6 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.593 ' H ' ' HB2' ' A' 1563 ' ' LEU . 67.8 m -114.45 179.47 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.599 179.769 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -107.76 105.07 14.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 179.77 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' 1561 ' ' ALA . 2.5 pp -109.63 154.91 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.519 -179.815 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 30.5 m -130.67 120.09 23.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' 1619 ' ' TYR . 66.0 m-85 -113.8 109.63 18.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.718 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.678 HG22 ' HG3' ' A' 1558 ' ' LYS . 46.7 pt -102.19 164.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 -179.893 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.635 ' HB3' HD12 ' A' 1621 ' ' LEU . 52.6 pttt -166.12 -172.35 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.756 179.791 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 67.0 mttm -106.33 -175.86 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.1 p -91.48 -17.22 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.0 p -69.25 -24.97 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.253 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.581 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.6 m -59.81 105.1 0.34 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 88.8 m -94.03 -30.53 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.323 -179.648 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.46 ' CG ' ' HA ' ' A' 1513 ' ' ASP . 2.8 m-20 -86.36 11.14 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.267 -179.651 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -123.99 136.62 54.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 111.251 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -170.4 114.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.623 HD13 HD11 ' A' 1547 ' ' ILE . 70.9 mt -110.09 158.02 18.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 -179.851 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' 1597 ' ' ARG . 11.0 p -144.75 144.73 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 61.5 tttp -74.82 146.85 41.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 91.56 -10.43 74.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.556 179.757 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.408 ' HB2' HG13 ' A' 1594 ' ' VAL . 10.8 mpt_? -105.7 169.85 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 111.271 -179.857 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -107.89 149.08 28.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.434 ' CD2' HG12 ' A' 1547 ' ' ILE . 72.1 m-85 -143.62 148.7 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.087 0.47 . . . . 0.0 111.81 -179.436 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' 1543 ' ' TYR . 58.2 tp -113.32 118.07 33.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.96 179.063 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.811 HD12 HG21 ' A' 1545 ' ' VAL . 82.4 mt -115.34 126.77 73.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.157 0.503 . . . . 0.0 112.092 -179.051 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 74.1 mtp -140.86 109.34 5.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.993 179.489 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.931 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -176.65 -168.28 36.46 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 119.946 -1.121 . . . . 0.0 113.742 -179.383 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.414 ' HE3' ' HG2' ' A' 1605 ' ' GLU . 60.2 tptt -55.5 157.09 4.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.868 0.366 . . . . 0.0 111.355 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.6 pt-20 -66.54 -170.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.323 -179.8 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.493 ' H ' ' HB2' ' A' 1572 ' ' ALA . . . -88.41 175.24 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.271 -179.852 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 9.5 mp -110.29 113.62 26.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.606 179.571 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.55 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 40.4 mt-30 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.005 -179.626 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.55 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 14.1 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.642 0.258 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 48.3 pt -128.91 135.48 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 0.0 110.974 179.556 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.531 ' O ' ' HA ' ' A' 1582 ' ' PHE . 36.4 m-85 -88.5 131.16 42.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.297 -179.308 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.73 -169.99 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.687 2.258 . . . . 0.0 112.207 179.654 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' 1584 ' ' LYS . 81.6 mt -144.91 100.08 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.739 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.82 ' HB2' HD23 ' A' 1624 ' ' LEU . 10.1 m-20 -122.6 -172.02 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 20.1 m -79.76 -5.35 55.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.649 -179.421 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.82 HD23 ' HB2' ' A' 1622 ' ' ASP . 0.3 OUTLIER -88.55 -32.64 18.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.555 ' N ' ' HG ' ' A' 1624 ' ' LEU . 89.9 m -64.58 108.69 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.174 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.44 ' HB3' ' HB2' ' A' 1602 ' ' MET . 57.1 t-105 -62.56 112.17 2.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -114.26 111.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -128.93 112.86 14.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 78.0 t80 -59.62 133.3 55.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -101.53 108.21 54.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.389 179.772 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.56 ' HB2' HD11 ' A' 1643 ' ' LEU . 78.0 Cg_exo -50.41 120.18 6.0 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.666 2.244 . . . . 0.0 112.557 -179.723 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -78.66 -33.82 46.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -86.81 128.72 35.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.713 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.5 p . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.866 ' HA ' HD23 ' A' 1643 ' ' LEU . 11.3 pt20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.746 0.308 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.76 94.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.899 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -80.41 -25.6 38.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.866 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -77.1 -5.89 50.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.56 -24.73 31.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -89.44 -15.62 32.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.69 -28.47 30.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.13 -36.4 79.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.36 -43.44 94.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.766 179.823 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.545 ' O ' HG22 ' A' 1653 ' ' ILE . 86.7 t80 -68.44 -30.57 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.968 179.89 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.37 51.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.306 -179.853 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -116.55 -4.27 11.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' 1656 ' ' ASN . 18.8 t70 -87.91 -16.18 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.035 -179.848 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.548 HD12 ' HA2' ' A' 1657 ' ' GLY . 8.6 tp -110.05 -29.2 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.777 179.794 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 44.3 t80 -78.05 -47.01 19.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -79.5 -52.75 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.787 -179.424 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.551 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.1 m-20 -78.92 -77.78 0.16 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.277 -179.46 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.548 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.3 150.62 2.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.354 -0.832 . . . . 0.0 111.034 -179.916 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.497 ' HB3' ' HB3' ' A' 1516 ' ' GLN . 9.5 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.708 0.29 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 41.5 t 58.45 101.19 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 63.18 43.67 98.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.275 -179.669 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.497 ' HB3' ' HB3' ' A' 1513 ' ' ASP . 16.9 pt20 -54.93 116.26 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.941 0.4 . . . . 0.0 110.974 -179.87 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 66.1 mtt -93.78 142.21 27.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -87.43 -178.57 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.66 172.44 2.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -93.5 -15.95 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 69.0 mt -148.37 102.06 3.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.556 ' OD1' HG13 ' A' 1525 ' ' ILE . 11.8 t70 -138.79 113.14 8.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.555 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 35.3 mt -103.02 17.46 24.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 76.4 p -97.36 -4.95 37.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.31 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.556 HG13 ' OD1' ' A' 1522 ' ' ASP . 89.8 mt -94.71 137.39 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.0 t -82.96 163.19 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -93.52 -4.24 51.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -106.79 -13.27 15.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 73.2 m -80.78 -50.79 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.75 HH22 HD23 ' A' 1646 ' ' LEU . 34.9 ptt180 -76.02 -22.61 55.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.905 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.501 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 84.5 tttt -60.18 -34.29 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -60.56 -23.97 65.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.272 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.822 ' HA ' ' HG2' ' A' 1536 ' ' LYS . 31.9 m -79.99 -21.03 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -80.7 4.32 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.47 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.5 t -144.67 18.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.218 -179.639 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.822 ' HG2' ' HA ' ' A' 1533 ' ' THR . 35.0 mmtp -61.78 156.97 52.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.782 179.747 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.08 -10.5 25.84 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.424 2.083 . . . . 0.0 111.951 179.511 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.855 ' HG3' HD12 ' A' 1539 ' ' ILE . 6.6 pt-20 -108.57 -51.8 2.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.101 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.855 HD12 ' HG3' ' A' 1538 ' ' GLU . 1.9 mp -52.02 119.07 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.99 0.424 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.778 ' HB1' ' H ' ' A' 1571 ' ' GLU . . . -90.9 -58.34 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' 1568 ' ' LYS . 5.5 p90 -101.09 144.09 30.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.519 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -153.51 104.55 2.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.779 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER -179.67 -122.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.411 178.387 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.442 ' N ' ' HD1' ' A' 1543 ' ' TYR . 4.4 ttmp? -131.99 140.7 49.04 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.395 0.616 . . . . 0.0 112.046 -177.686 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.798 HG12 ' HA ' ' A' 1563 ' ' LEU . 4.5 m -141.09 140.05 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 179.355 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.681 ' HB2' HD11 ' A' 1564 ' ' LEU . 31.0 t -112.57 143.84 43.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.96 0.409 . . . . 0.0 111.592 -179.014 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.719 HG13 HD12 ' A' 1593 ' ' LEU . 32.3 mm -82.06 120.68 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.549 179.572 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 76.6 p -97.24 -18.57 19.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.713 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 33.4 t -161.89 167.68 24.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.819 -179.575 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.512 HG12 ' HD1' ' A' 1559 ' ' TYR . 85.3 mt -136.08 112.88 13.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.689 179.795 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 62.1 m -112.27 141.43 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.215 -179.706 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.4 p -141.36 137.55 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -106.3 -71.66 0.74 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1554 ' ' ASN . . . . . 0.444 ' OD1' HG23 ' A' 1555 ' ' VAL . 6.2 p30 -157.47 -45.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.444 HG23 ' OD1' ' A' 1554 ' ' ASN . 99.1 t -126.41 -56.42 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.72 108.76 14.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 179.951 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -82.1 156.0 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.922 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.791 ' HG2' HG22 ' A' 1583 ' ' ILE . 96.1 mttt -144.65 104.88 4.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.584 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 91.2 m-85 -95.67 121.04 36.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.713 ' HB3' ' HB3' ' A' 1549 ' ' SER . 17.3 tppt? -76.56 121.11 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.125 179.412 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' 1547 ' ' ILE . . . -121.57 -177.3 3.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.03 0.443 . . . . 0.0 111.775 -179.413 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1562 ' ' THR . . . . . 0.582 HG23 ' O ' ' A' 1578 ' ' SER . 21.1 m -150.36 116.51 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.641 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.798 ' HA ' HG12 ' A' 1545 ' ' VAL . 64.3 tp -64.81 92.09 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.754 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' 1546 ' ' SER . 85.7 mt -56.24 -55.15 36.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.026 0.441 . . . . 0.0 110.854 -179.037 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.779 ' O ' ' HB3' ' A' 1543 ' ' TYR . 9.6 m-20 -144.14 163.51 33.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.708 179.623 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.775 HG23 HD11 ' A' 1563 ' ' LEU . 0.3 OUTLIER -141.79 106.91 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -179.327 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.637 ' H ' ' HB2' ' A' 1543 ' ' TYR . 57.0 m-85 -63.05 -33.44 75.44 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.358 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' A' 1541 ' ' TYR . 62.6 tttp -133.92 112.43 11.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.101 -1.409 . . . . 0.0 108.778 178.588 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1569 ' ' THR . . . . . 0.405 HG23 ' O ' ' A' 1574 ' ' ALA . 91.6 m -51.07 145.34 7.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.117 -178.913 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.496 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -82.28 129.87 9.33 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.047 179.433 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.778 ' H ' ' HB1' ' A' 1540 ' ' ALA . 39.0 mt-10 -67.02 -12.87 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 111.169 -179.711 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -112.55 71.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 179.678 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 99.3 t 49.78 89.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.544 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.496 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -150.16 127.51 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.916 179.527 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -140.62 164.46 30.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.807 -179.928 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.546 ' NZ ' ' HB2' ' A' 1576 ' ' LYS . 4.4 ttmp? -60.02 109.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.635 179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1577 ' ' ASP . . . . . . . . . . . . . 19.9 t70 68.15 71.11 0.32 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.663 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.582 ' O ' HG23 ' A' 1562 ' ' THR . 39.2 p -126.83 -167.46 1.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.8 131.02 52.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.72 HD12 ' HE1' ' A' 1582 ' ' PHE . 15.3 pt -143.31 165.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.048 -179.796 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 28.9 m -137.28 129.4 29.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.543 -179.77 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.72 ' HE1' HD12 ' A' 1580 ' ' ILE . 49.5 m-85 -115.42 103.33 10.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.61 179.493 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.791 HG22 ' HG2' ' A' 1558 ' ' LYS . 47.7 pt -88.59 146.43 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.302 -179.718 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.584 ' HE2' ' HE2' ' A' 1559 ' ' TYR . 39.4 ttpt -130.79 149.64 52.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.822 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.463 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 96.0 mttt -87.06 171.02 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.683 179.729 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.7 p -77.4 -25.83 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -179.855 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.7 p -67.48 -33.94 76.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.336 -179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 0.0 OUTLIER -65.99 94.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.879 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 8.1 t -100.65 -12.86 18.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -85.53 -13.79 47.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.426 ' HB3' ' HD2' ' A' 1584 ' ' LYS . . . -84.28 108.44 17.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.177 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -134.97 120.57 19.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.805 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.719 HD12 HG13 ' A' 1547 ' ' ILE . 2.1 pt? -135.96 178.77 6.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.973 -179.843 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.414 ' HB ' ' HD3' ' A' 1597 ' ' ARG . 46.7 t -129.87 146.43 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.713 ' HE3' ' HA ' ' A' 1549 ' ' SER . 87.2 tttt -74.69 115.4 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 119.05 -33.59 4.67 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.692 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.414 ' HD3' ' HB ' ' A' 1594 ' ' VAL . 10.7 mpt_? -67.4 164.95 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.013 0.435 . . . . 0.0 111.267 -179.871 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -110.55 136.48 49.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.627 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.81 136.61 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.354 -179.677 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' 1601 ' ' ILE . 10.4 tp -75.68 123.05 24.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.88 179.159 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.728 HD13 HG22 ' A' 1545 ' ' VAL . 1.7 mp -118.45 137.47 52.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.156 0.503 . . . . 0.0 111.904 -179.055 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.759 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 67.4 mtp -149.21 100.95 3.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.17 179.626 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.598 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -156.75 174.76 34.43 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.323 -179.448 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.717 ' HD2' HD11 ' A' 1624 ' ' LEU . 0.0 OUTLIER -66.93 174.3 3.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.893 0.378 . . . . 0.0 111.188 -179.892 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.688 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 0.0 OUTLIER -70.2 165.52 21.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.166 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' 1619 ' ' TYR . . . -67.57 -173.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.355 -179.871 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.8 mt -106.95 -174.94 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.213 179.744 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 2.6 m-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.859 0.361 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.758 HD12 HD13 ' A' 1583 ' ' ILE . 20.5 pt -141.47 131.39 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.423 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' 1582 ' ' PHE . 3.1 m-30 -77.54 118.62 73.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.783 -179.5 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.43 -174.55 2.31 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.621 2.214 . . . . 0.0 112.565 -179.804 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' 1584 ' ' LYS . 87.4 mt -142.53 102.52 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.796 179.776 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -127.46 -176.02 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.1 p -71.2 -11.17 60.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.717 HD11 ' HD2' ' A' 1604 ' ' LYS . 0.7 OUTLIER -87.24 -30.67 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.575 179.903 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.491 ' O ' HG13 ' A' 1627 ' ' ILE . 61.8 m -63.99 99.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.081 -179.83 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.759 ' HB3' ' HB2' ' A' 1602 ' ' MET . 59.2 t-105 -60.11 109.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.723 179.773 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' 1625 ' ' THR . 71.8 mt -119.21 133.12 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.424 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 39.4 tt0 -144.91 155.88 43.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.514 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 34.8 t80 -97.72 117.45 32.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.504 ' CE2' HD13 ' A' 1646 ' ' LEU . 7.2 t-105 -91.41 115.11 63.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.339 179.661 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.91 100.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.446 2.097 . . . . 0.0 112.364 -179.866 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -56.64 -27.83 59.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -94.33 133.77 37.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.819 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.48 ' HA ' HD11 ' A' 1643 ' ' LEU . 72.3 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.725 ' HG3' HD12 ' A' 1643 ' ' LEU . 51.7 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.793 0.33 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.35 -33.12 67.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.278 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 61.5 t80 -80.17 -25.19 39.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.853 ' HA ' HD12 ' A' 1646 ' ' LEU . 62.6 mt -62.83 -24.35 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 -179.872 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -57.71 -58.16 9.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.597 -179.629 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 31.4 p30 -64.47 -12.31 42.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.073 -179.814 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' 1643 ' ' LEU . 94.4 mt -83.42 -38.66 21.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.814 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -72.19 -26.96 62.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.736 179.766 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.45 6.18 9.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.674 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.501 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 58.8 t80 -123.26 -26.4 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.64 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1650 ' ' ALA . . . . . 0.4 ' HA ' ' OH ' ' A' 1567 ' ' TYR . . . -67.05 -72.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.382 -179.916 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1651 ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' 1654 ' ' PHE . 25.8 tt0 -69.87 -9.58 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 -179.6 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' 1656 ' ' ASN . 29.8 t70 -69.95 -65.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.821 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' 1649 ' ' PHE . 18.7 tt -70.57 -22.33 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.794 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1654 ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' 1651 ' ' GLU . 55.8 t80 -70.77 -50.98 30.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' 1655 ' ' LEU . 6.2 tt -79.25 -53.65 6.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.73 -179.638 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.2 m-20 -74.3 -71.46 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.064 -179.74 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 106.18 -170.59 16.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.583 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.144 179.96 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.502 0.192 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' 1516 ' ' GLN . 1.3 m 56.01 -156.45 0.27 Allowed 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.122 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.469 ' O ' HD12 ' A' 1627 ' ' ILE . . . -61.12 80.09 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.763 178.963 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' 1514 ' ' CYS . 0.3 OUTLIER -48.09 127.77 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 110.938 -179.594 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' 1590 ' ' ASN . 15.2 ptp -95.78 154.85 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.976 -179.887 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -97.97 177.94 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.13 -176.59 0.3 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.91 -173.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1521 ' ' LEU . . . . . 0.664 HD13 ' HG3' ' A' 1631 ' ' PRO . 2.5 pt? -58.14 132.47 53.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1522 ' ' ASP . . . . . 0.468 ' OD1' HG23 ' A' 1524 ' ' THR . 52.4 t0 -152.7 133.15 13.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' 1523 ' ' LEU . 4.5 mp -82.16 22.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.315 -179.603 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1524 ' ' THR . . . . . 0.468 HG23 ' OD1' ' A' 1522 ' ' ASP . 75.8 p -95.18 -20.6 19.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 111.316 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.7 mt -80.5 136.63 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 37.7 t -87.23 175.09 8.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.13 39.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.231 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.491 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.5 mt-10 -75.67 -18.26 59.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 26.4 m -62.91 -18.17 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.548 ' NH2' ' HG2' ' A' 1628 ' ' GLU . 59.9 mtt180 -122.5 -24.7 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.994 -179.851 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.721 ' HE2' HD13 ' A' 1653 ' ' ILE . 2.5 tppp? -74.47 -36.63 63.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.332 -179.766 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -74.31 7.32 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.747 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 24.0 m -135.84 -21.47 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.034 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -77.51 -12.27 59.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.9 t -100.45 -29.25 12.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.5 mtmt -63.36 146.57 96.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1537 ' ' PRO . . . . . 0.46 ' O ' ' HE2' ' A' 1604 ' ' LYS . 37.1 Cg_exo -60.24 -11.97 18.13 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.65 2.234 . . . . 0.0 112.353 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.91 -8.17 34.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.013 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.511 ' CG2' ' HB3' ' A' 1602 ' ' MET . 46.0 mm -128.87 118.8 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 111.987 -179.311 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.497 ' HB2' ' N ' ' A' 1605 ' ' GLU . . . -74.65 -73.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.366 178.837 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.723 ' HB2' HD11 ' A' 1566 ' ' ILE . 48.2 p90 -108.09 132.94 53.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.042 179.637 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.592 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -139.72 116.41 10.82 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.489 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.702 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER 176.29 -124.41 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.229 178.29 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' 1543 ' ' TYR . 36.9 ttpt -126.77 132.4 51.07 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 111.991 -177.411 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.678 HG12 ' HA ' ' A' 1563 ' ' LEU . 6.1 m -137.08 147.34 27.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.079 179.521 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.411 ' CB ' HD21 ' A' 1564 ' ' LEU . 18.5 t -117.62 156.58 27.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 111.41 -179.207 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 37.8 mm -96.82 139.3 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.412 179.547 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 2.4 t -138.56 -10.33 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.679 -179.583 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.928 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 63.4 m -157.17 132.25 8.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 111.261 179.911 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 81.4 mt -131.29 109.96 17.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 77.5 m -125.12 143.35 50.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.4 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.555 HG23 HG22 ' A' 1557 ' ' VAL . 7.3 p -133.5 137.63 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.76 179.756 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -95.86 -80.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.01 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -131.49 -72.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.981 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 83.9 t -104.93 -45.22 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' 1584 ' ' LYS . 85.8 m-85 -83.27 120.85 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.555 HG22 HG23 ' A' 1552 ' ' VAL . 24.1 t -99.7 126.77 53.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.662 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.8 OUTLIER -99.62 153.18 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.164 -179.801 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -139.35 106.69 5.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.972 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.928 ' HB2' ' HB2' ' A' 1549 ' ' SER . 3.5 mmmp? -84.12 99.96 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.705 179.767 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -116.35 165.0 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1562 ' ' THR . . . . . 0.462 ' O ' HD22 ' A' 1564 ' ' LEU . 2.4 m -121.38 120.9 36.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.939 179.808 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.798 HD21 ' HB ' ' A' 1566 ' ' ILE . 21.0 tp -69.31 100.55 1.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.207 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' 1562 ' ' THR . 4.3 mm? -59.73 -57.49 12.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.038 0.447 . . . . 0.0 110.803 -179.257 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.702 ' O ' ' HB3' ' A' 1543 ' ' TYR . 8.9 m-20 -136.04 155.95 49.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.12 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.798 ' HB ' HD21 ' A' 1563 ' ' LEU . 9.4 tp -133.5 119.8 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.749 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.622 ' H ' ' HB2' ' A' 1543 ' ' TYR . 22.3 m-85 -81.21 -67.3 0.79 Allowed 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.791 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' 1541 ' ' TYR . 6.9 tmtm? -96.41 106.31 18.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.759 178.238 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1569 ' ' THR . . . . . 0.512 HG23 ' O ' ' A' 1574 ' ' ALA . 36.1 m -48.84 137.2 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.851 -179.025 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.761 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -81.88 120.65 5.2 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.106 179.585 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.17 -22.9 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -95.01 45.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.406 179.37 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 71.5 t 62.21 94.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.204 -179.599 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.761 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -149.44 122.87 9.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.846 179.75 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' 1563 ' ' LEU . 14.0 mm-40 -147.19 149.27 32.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -42.26 127.27 3.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.996 179.63 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' 1563 ' ' LEU . 16.8 t70 61.09 74.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.59 -179.64 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 28.7 t -137.39 -168.09 2.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.651 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -112.2 128.74 56.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.501 HD12 ' HZ ' ' A' 1582 ' ' PHE . 9.8 pt -141.65 146.45 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.367 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 87.2 m -133.51 140.03 46.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.554 ' HB3' HD21 ' A' 1621 ' ' LEU . 4.4 m-85 -122.93 146.11 47.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.662 HG22 ' HG3' ' A' 1558 ' ' LYS . 46.9 pt -127.82 148.92 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.177 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.77 ' HB3' HD12 ' A' 1621 ' ' LEU . 54.3 pttt -147.42 -167.23 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.6 mptp? -112.63 -176.05 2.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.777 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 26.6 m -90.7 -1.61 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.028 179.762 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.6 p -95.0 -32.48 13.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' 1514 ' ' CYS . 71.2 m -70.25 83.44 0.54 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 77.4 p -92.83 -12.21 31.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.406 ' O ' ' HG2' ' A' 1517 ' ' MET . 16.6 m120 -76.19 -24.71 54.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.739 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -105.5 88.79 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -127.86 104.48 7.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.756 179.865 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' 1593 ' ' LEU . 4.5 mp -81.47 161.64 23.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.8 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 70.9 t -109.84 142.55 22.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.046 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -70.99 136.27 48.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.85 65.17 3.18 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.735 179.781 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.58 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 21.8 ttm180 -169.27 139.69 2.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -78.55 138.68 38.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.288 -179.671 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.531 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 63.3 m-85 -144.75 131.51 20.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.412 -179.754 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.616 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 0.3 OUTLIER -68.9 123.74 21.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.632 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' 1626 ' ' TRP . 29.3 mt -139.05 141.88 35.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.829 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.511 ' HB3' ' CG2' ' A' 1539 ' ' ILE . 22.3 mtm -130.34 89.95 2.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.089 178.413 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' 1541 ' ' TYR . . . -92.87 153.87 21.73 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.439 -178.485 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' A' 1537 ' ' PRO . 29.1 tptp -91.31 162.63 14.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 110.642 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.497 ' N ' ' HB2' ' A' 1540 ' ' ALA . 41.0 tt0 -52.09 132.4 32.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . -91.86 -170.24 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.288 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.474 ' N ' HD22 ' A' 1607 ' ' LEU . 3.4 mm? -89.83 -166.36 1.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.198 -179.86 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.432 HG21 HD13 ' A' 1583 ' ' ILE . 46.8 mm 62.97 108.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.332 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -85.9 137.69 35.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.15 -176.15 3.09 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.575 2.183 . . . . 0.0 112.239 179.871 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.77 HD12 ' HB3' ' A' 1584 ' ' LYS . 86.1 mt -143.09 48.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -60.69 177.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1623 ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' 1514 ' ' CYS . 56.6 p -78.32 8.8 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 -179.784 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.5 pp -106.07 5.43 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 179.703 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 91.6 m -86.94 114.34 23.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' 1601 ' ' ILE . 53.5 t-105 -71.75 130.41 41.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' 1515 ' ' GLY . 70.5 mt -136.16 137.22 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.616 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 9.0 tp10 -150.6 155.22 38.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.675 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.58 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 18.0 t80 -91.04 120.04 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -101.27 117.35 62.33 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.251 179.496 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.664 ' HG3' HD13 ' A' 1521 ' ' LEU . 72.5 Cg_exo -50.73 102.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.585 2.19 . . . . 0.0 112.434 -179.832 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -60.77 -25.72 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -108.95 144.49 36.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.547 HG22 ' HG ' ' A' 1643 ' ' LEU . 81.3 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.875 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.82 ' HA ' HD23 ' A' 1643 ' ' LEU . 35.8 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.036 0.446 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -135.96 -59.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.815 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.537 ' CB ' ' HB2' ' A' 1521 ' ' LEU . 55.2 t80 -65.36 -21.15 66.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.776 179.721 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.82 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.4 mm? -64.09 -16.63 62.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.03 5.45 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 179.616 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 18.2 m120 -105.29 -6.98 19.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.719 179.683 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' 1646 ' ' LEU . 2.9 mm? -101.69 -22.93 14.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.3 -34.52 78.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.792 -179.836 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.6 -31.74 41.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.689 179.863 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.462 ' O ' HG22 ' A' 1653 ' ' ILE . 84.6 t80 -81.79 -7.91 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.684 179.858 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -87.78 -65.6 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.637 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.87 -6.1 11.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.693 -179.063 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.57 -75.01 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.697 0.284 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.721 HD13 ' HE2' ' A' 1531 ' ' LYS . 4.3 tp -53.52 -31.7 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.992 179.851 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 68.3 t80 -70.81 -53.37 15.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.193 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 37.0 tp -87.91 -69.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 -179.422 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -60.01 -74.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.262 -179.586 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 95.66 160.16 33.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.304 -179.714 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.038 -179.861 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A 1513 ' ' ASP . . . . . 0.41 ' HA ' ' ND2' ' A' 1590 ' ' ASN . 6.7 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.636 0.255 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 40.5 t -49.36 128.72 17.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.575 179.644 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 83.6 -46.38 3.64 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.895 -179.125 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.5 tt0 53.18 95.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 111.372 179.652 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 24.4 ptm -103.46 149.59 24.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.802 179.839 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -88.28 176.07 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.04 -179.842 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.4 -175.29 0.79 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -97.85 -85.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 73.0 mt -102.36 102.28 12.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.102 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -147.93 113.5 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.772 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 52.5 mt -81.38 8.29 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.005 -179.689 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 68.7 p -74.06 -21.42 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.7 mt -95.63 129.44 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.1 m -92.29 -172.64 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -74.73 -58.39 3.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.253 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.846 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.5 mt-10 -65.64 -15.66 62.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.337 -179.88 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 93.0 m -56.27 -42.18 77.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' 1530 ' ' ARG . 14.6 ptt180 -115.62 0.34 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.846 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 19.8 tptm -77.85 -30.57 51.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 -179.833 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' 1528 ' ' GLU . 9.2 mm100 -63.81 -10.07 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.946 0.403 . . . . 0.0 110.438 179.675 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.746 ' HA ' ' HG3' ' A' 1536 ' ' LYS . 28.0 m -95.59 -18.75 20.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.891 179.772 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.44 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -77.13 3.31 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.655 -179.773 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.1 t -141.38 16.19 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.276 -179.864 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.746 ' HG3' ' HA ' ' A' 1533 ' ' THR . 97.7 mttt -69.45 154.62 94.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.783 179.769 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.31 -20.16 55.51 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.494 2.129 . . . . 0.0 112.291 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.872 ' HG3' HD12 ' A' 1539 ' ' ILE . 5.6 pt-20 -90.67 -44.9 9.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.879 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -62.74 111.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.677 179.615 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.88 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.354 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.517 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.9 p90 -117.39 160.08 21.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.19 0.519 . . . . 0.0 111.813 -179.329 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.672 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.23 100.15 3.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.989 179.477 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.65 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.0 OUTLIER -151.78 178.46 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 0.0 111.724 -179.095 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.527 ' HE2' ' HB2' ' A' 1565 ' ' ASP . 65.1 pttt -115.54 138.88 50.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.568 179.743 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.863 HG12 ' HA ' ' A' 1563 ' ' LEU . 10.1 m -136.45 -178.29 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.399 -179.539 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.456 ' CB ' HD11 ' A' 1564 ' ' LEU . 10.5 t -148.43 130.32 15.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 179.76 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' 1561 ' ' ALA . 49.0 mm -66.25 139.49 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.834 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 56.1 p -129.95 -26.32 2.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.552 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.782 ' HA ' ' HE2' ' A' 1595 ' ' LYS . 72.4 m -151.72 155.35 38.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.331 -179.568 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.5 mt -132.92 120.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.3 m -109.98 140.64 43.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 -179.891 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.3 p -141.58 140.59 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -118.66 -77.04 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.201 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 45.8 t30 -120.23 -75.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.031 -179.661 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' 1556 ' ' PHE . 5.7 m -111.35 -49.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.261 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1556 ' ' PHE . . . . . 0.419 ' N ' HG23 ' A' 1555 ' ' VAL . 96.3 m-85 -73.89 128.04 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.758 179.88 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' 1557 ' ' VAL . 5.2 p -107.85 117.1 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.281 -179.892 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.841 ' HG3' HG22 ' A' 1583 ' ' ILE . 4.0 mptp? -84.7 152.32 23.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.638 179.823 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' 1581 ' ' THR . 87.0 m-85 -131.81 113.03 13.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.24 -179.889 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -92.83 109.33 20.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.692 179.586 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.591 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -125.52 175.81 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.295 -179.851 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 5.0 m -120.35 134.86 55.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.019 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.863 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.0 tp -77.23 102.34 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.396 179.464 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.2 mp -57.12 -58.12 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.341 -179.022 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.618 ' O ' ' HB2' ' A' 1543 ' ' TYR . 7.1 m-20 -152.42 158.48 42.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.54 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.769 HG12 HD21 ' A' 1563 ' ' LEU . 54.5 mt -109.14 134.25 51.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.019 0.438 . . . . 0.0 111.799 -179.746 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.598 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 61.0 m-85 -113.37 -14.07 12.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.224 178.521 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.672 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 86.9 tttt -159.76 114.6 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.864 179.161 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 42.9 m -46.29 150.29 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 0.0 111.832 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.779 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -107.94 135.75 13.01 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.351 -179.837 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -63.02 -25.9 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.623 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1572 ' ' ALA . . . . . 0.511 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -89.7 42.53 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.337 179.436 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 84.5 t 56.56 89.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.322 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.779 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.85 131.94 53.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.414 179.359 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.638 ' HB3' ' HB3' ' A' 1578 ' ' SER . 35.4 tt0 -135.82 144.48 45.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.475 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -59.18 123.9 18.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.628 ' HA ' ' O ' ' A' 1563 ' ' LEU . 18.6 t70 64.95 34.17 9.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.093 0.473 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.638 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 66.9 p -84.07 -167.85 1.92 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.667 179.408 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -109.46 144.2 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.682 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.6 HD12 ' HE1' ' A' 1582 ' ' PHE . 31.2 pt -138.32 150.05 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.317 -179.876 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1581 ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' 1559 ' ' TYR . 18.3 m -140.11 97.83 3.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.967 179.763 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.6 ' HE1' HD12 ' A' 1580 ' ' ILE . 60.7 m-85 -92.87 124.91 37.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.886 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.841 HG22 ' HG3' ' A' 1558 ' ' LYS . 42.2 pt -102.01 136.84 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.43 . . . . 0.0 111.062 179.913 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.675 ' HB2' HD23 ' A' 1621 ' ' LEU . 36.7 ttpt -125.54 155.29 40.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.847 -179.718 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.522 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 66.8 mttm -82.48 -178.04 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.613 179.666 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.5 p -95.67 -15.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.2 p -86.71 -23.41 25.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.314 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 30.1 m -59.22 108.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.016 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 63.7 m -99.67 -41.53 7.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1590 ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' 1513 ' ' ASP . 2.7 m-20 -66.18 -18.53 65.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -91.38 106.98 18.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -129.44 124.42 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.4 mt -122.66 151.53 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.49 HG13 ' HB2' ' A' 1597 ' ' ARG . 9.2 p -136.64 143.85 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.782 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.1 ttmt -76.01 126.16 30.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 115.81 -38.54 3.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.716 179.749 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.49 ' HB2' HG13 ' A' 1594 ' ' VAL . 0.0 OUTLIER -79.03 170.41 16.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.937 0.398 . . . . 0.0 111.298 -179.763 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A 1598 ' ' GLN . . . . . 0.685 ' HB2' ' HB3' ' A' 1630 ' ' TRP . 76.9 mt-30 -113.92 149.93 34.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.693 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1599 ' ' TYR . . . . . 0.43 ' OH ' HG12 ' A' 1594 ' ' VAL . 98.0 m-85 -143.74 135.77 26.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 111.395 -179.892 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 51.0 tp -84.48 128.71 34.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.275 179.369 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.479 HG22 ' HE1' ' A' 1541 ' ' TYR . 41.6 mm -116.18 124.41 72.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.942 0.401 . . . . 0.0 111.64 -179.382 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1602 ' ' MET . . . . . . . . . . . . . 73.4 mtp -144.68 115.42 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.321 179.758 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.879 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 173.02 -164.65 36.7 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.541 -179.865 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' 1605 ' ' GLU . 3.9 tppp? -54.03 163.78 0.72 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.919 0.39 . . . . 0.0 111.274 -179.549 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' 1604 ' ' LYS . 12.1 pt-20 -71.43 -170.4 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1606 ' ' ALA . . . . . 0.513 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -102.96 175.64 5.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.351 -179.872 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' 1607 ' ' LEU . 6.8 mp -93.26 -165.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.639 179.774 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' 1617 ' ' TYR . 48.0 tt0 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.262 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' 1608 ' ' GLN . 40.0 m-85 . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' 1618 ' ' ILE . 23.8 pt 36.89 99.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.291 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 47.7 m-85 -55.16 138.85 65.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.047 -179.81 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1620 ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' 1606 ' ' ALA . 62.1 Cg_endo -72.68 -172.64 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.519 2.146 . . . . 0.0 112.019 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.691 HD11 HD11 ' A' 1627 ' ' ILE . 31.7 tp -166.15 97.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1622 ' ' ASP . . . . . 0.621 ' HB2' HD12 ' A' 1624 ' ' LEU . 9.9 m-20 -135.22 -167.78 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 -179.901 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 75.9 p -67.53 -32.87 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.723 -179.383 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.621 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -71.3 -7.5 47.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 111.048 -179.574 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A 1625 ' ' THR . . . . . 0.596 ' N ' HD13 ' A' 1624 ' ' LEU . 62.7 m -87.28 104.2 16.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.991 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -65.4 111.1 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.691 HD11 HD11 ' A' 1621 ' ' LEU . 67.9 mt -114.75 129.1 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.696 179.747 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1628 ' ' GLU . . . . . 0.717 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.3 tt0 -131.52 157.3 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.111 -179.831 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -97.53 128.29 44.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.685 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 3.3 t-105 -105.08 103.74 43.33 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.87 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.501 ' HB2' HD11 ' A' 1643 ' ' LEU . 51.8 Cg_exo -54.51 108.11 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.592 2.195 . . . . 0.0 112.323 -179.84 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -75.42 -25.45 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.765 179.827 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.23 128.75 36.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.774 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.434 HG22 ' HG ' ' A' 1643 ' ' LEU . 77.8 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.454 ' HA ' HD23 ' A' 1643 ' ' LEU . 48.7 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.43 75.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 69.3 t80 -78.26 -42.14 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.544 ' H ' HD22 ' A' 1643 ' ' LEU . 2.8 mm? -65.35 -13.94 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -78.43 -32.06 48.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.855 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -70.35 -28.57 65.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.755 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.427 HD23 ' CZ3' ' A' 1630 ' ' TRP . 8.9 mp -79.06 -17.93 54.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.77 -46.67 81.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 179.853 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1648 ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' 1652 ' ' ASP . 10.3 tp10 -69.73 -40.82 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.67 179.768 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.476 ' O ' HG22 ' A' 1653 ' ' ILE . 89.4 t80 -61.03 -24.27 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.062 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -76.16 -55.31 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.567 -179.687 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -75.04 -4.88 41.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.408 -179.15 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' 1648 ' ' GLU . 14.0 t70 -85.72 -62.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.734 HD13 ' HE3' ' A' 1531 ' ' LYS . 6.8 tp -60.86 -25.44 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.975 0.416 . . . . 0.0 110.909 179.775 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 66.5 t80 -78.14 -49.77 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.218 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.4 tt -90.35 -69.29 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 -179.415 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -58.1 -18.58 25.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.555 -179.58 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' 1653 ' ' ILE . . . 71.77 -123.22 9.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.31 -179.811 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.935 179.807 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.622 0.249 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 42.2 t 50.57 35.14 10.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.376 0.607 . . . . 0.0 110.706 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.779 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 160.52 -48.09 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.103 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1516 ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' 1515 ' ' GLY . 76.8 mt-30 74.32 -48.28 0.65 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.856 0.463 . . . . 0.0 111.863 179.565 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.519 ' HG2' ' HA ' ' A' 1591 ' ' ALA . 24.9 mmt 54.21 -172.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 111.08 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -143.46 148.53 36.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.785 179.851 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.69 170.07 11.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.45 120.99 21.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 70.3 mt 57.12 94.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.069 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -121.2 99.88 6.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.82 89.93 8.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.392 -179.425 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1524 ' ' THR . . . . . 0.409 ' H ' ' H ' ' A' 1525 ' ' ILE . 7.7 t -179.86 -13.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.772 179.64 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1525 ' ' ILE . . . . . 0.507 HG23 HG21 ' A' 1529 ' ' THR . 80.6 mt -95.75 137.7 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 79.6 p -84.84 -177.45 6.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1527 ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' 1531 ' ' LYS . . . -101.06 -13.15 18.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -93.81 -6.15 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1529 ' ' THR . . . . . 0.507 HG21 HG23 ' A' 1525 ' ' ILE . 10.1 t -70.98 -31.36 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.437 HH21 HD23 ' A' 1646 ' ' LEU . 15.4 ptt-85 -110.88 -22.21 11.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.135 -179.564 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.603 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 13.1 tmtt? -59.56 -50.53 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' 1536 ' ' LYS . 11.6 pt20 -64.83 -16.28 62.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.189 179.442 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.46 HG23 ' NZ ' ' A' 1536 ' ' LYS . 90.7 m -83.26 -26.92 30.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.71 179.578 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1534 ' ' ALA . . . . . 0.489 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -67.47 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.042 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.7 t -65.5 -10.1 31.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.803 ' HE3' ' HB3' ' A' 1538 ' ' GLU . 38.6 ttpt -59.66 137.32 89.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.831 179.833 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.41 -14.4 12.5 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.674 2.249 . . . . 0.0 112.798 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.803 ' HB3' ' HE3' ' A' 1536 ' ' LYS . 42.2 tt0 -79.95 -31.01 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.716 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.873 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -104.78 112.14 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.665 179.775 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.667 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -67.25 -70.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.551 -179.743 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.507 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.5 p90 -96.21 155.91 16.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.397 0.618 . . . . 0.0 111.898 -179.13 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.678 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.05 96.59 2.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.506 179.202 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.665 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.5 OUTLIER -150.91 176.45 11.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.532 . . . . 0.0 112.042 -178.795 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.469 ' HG2' HD12 ' A' 1564 ' ' LEU . 84.0 tttt -111.71 136.61 50.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.322 179.504 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' 1563 ' ' LEU . 17.7 m -129.65 -175.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.373 . . . . 0.0 111.351 -179.692 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.483 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.1 t -151.0 122.01 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.825 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1547 ' ' ILE . . . . . 0.652 HD11 HD13 ' A' 1593 ' ' LEU . 43.1 mm -58.09 136.72 21.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1548 ' ' THR . . . . . 0.472 ' O ' ' HE2' ' A' 1595 ' ' LYS . 46.3 p -132.21 -18.3 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.345 -179.679 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 65.3 m -153.11 138.18 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.896 0.379 . . . . 0.0 111.37 -179.562 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.3 mt -131.31 111.41 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 57.2 m -107.36 137.46 45.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 11.8 p -129.07 141.1 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -120.36 -166.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -53.62 -58.43 7.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.506 ' O ' ' HB ' ' A' 1586 ' ' VAL . 32.4 t -118.24 -56.37 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -65.82 163.74 16.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 7.3 p -156.05 140.07 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 179.822 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.68 ' HG2' HG22 ' A' 1583 ' ' ILE . 91.1 mttt -125.18 154.84 40.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.951 0.405 . . . . 0.0 111.402 -179.462 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -133.17 102.62 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.564 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.403 ' HB2' ' HB2' ' A' 1549 ' ' SER . 60.2 mttp -87.87 132.75 34.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.778 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1561 ' ' ALA . . . . . 0.532 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -141.43 167.0 23.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.31 -179.718 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.5 m -108.24 125.52 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.016 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.829 ' HA ' HG12 ' A' 1545 ' ' VAL . 14.0 tp -65.64 112.11 3.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.225 179.314 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.61 ' H ' ' HA ' ' A' 1545 ' ' VAL . 81.9 mt -65.73 -59.48 3.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.204 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.633 ' O ' ' HB2' ' A' 1543 ' ' TYR . 8.6 m-20 -152.86 154.43 35.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.688 HG12 HD21 ' A' 1563 ' ' LEU . 54.9 mt -102.05 130.52 51.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.906 0.384 . . . . 0.0 111.88 -179.65 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.608 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 52.9 m-85 -106.31 -15.99 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.103 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.678 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 82.9 tttt -159.93 107.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.412 178.875 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 34.5 m -43.21 137.06 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.361 0.601 . . . . 0.0 112.274 -178.985 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.704 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -84.09 139.39 18.34 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.597 179.113 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1571 ' ' GLU . . . . . 0.667 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 28.4 mt-10 -53.2 -20.86 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.182 0.515 . . . . 0.0 110.087 179.761 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -90.33 -157.02 0.45 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.735 178.449 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1573 ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' 1573 ' ' VAL . 11.7 p -82.9 42.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.232 0.539 . . . . 0.0 110.978 179.631 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1574 ' ' ALA . . . . . 0.704 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -67.52 114.68 6.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.774 179.662 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.542 ' HB2' ' OG ' ' A' 1578 ' ' SER . 23.1 mm-40 -134.02 144.71 48.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.474 ' HB3' ' NZ ' ' A' 1576 ' ' LYS . 6.0 ttpm? -52.07 121.66 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.68 -179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.616 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 65.7 60.14 0.72 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.732 -179.855 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.542 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 52.2 m -115.48 -175.86 2.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.718 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -105.48 133.74 49.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.716 179.772 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.616 HD12 ' HE2' ' A' 1582 ' ' PHE . 8.5 pt -139.38 140.36 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 -179.639 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 18.9 m -122.34 112.96 18.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.616 ' HE2' HD12 ' A' 1580 ' ' ILE . 89.7 m-85 -98.43 101.33 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.772 179.729 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.68 HG22 ' HG2' ' A' 1558 ' ' LYS . 36.1 pt -85.65 158.82 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.213 -179.801 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' 1585 ' ' LYS . 6.0 tmmm? -164.03 143.33 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.445 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' 1584 ' ' LYS . 46.0 mmtm -57.6 -89.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.061 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' A' 1555 ' ' VAL . 14.6 p 177.25 -15.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.6 p -68.12 -36.52 79.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.061 -179.727 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.3 m -60.64 95.19 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 61.0 m -92.01 -36.58 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.354 -179.749 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.43 -26.52 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.779 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -95.97 119.27 34.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -150.14 148.57 29.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.783 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1593 ' ' LEU . . . . . 0.652 HD13 HD11 ' A' 1547 ' ' ILE . 92.1 mt -128.38 145.3 51.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.655 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 57.6 t -105.2 141.54 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1595 ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.1 tttm -77.67 133.06 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 94.75 -15.04 64.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.733 179.653 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.655 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 93.6 mtt180 -92.11 173.94 7.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.047 0.451 . . . . 0.0 111.481 -179.812 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -113.61 138.53 50.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -142.98 135.52 27.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.964 0.412 . . . . 0.0 111.43 -179.804 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.59 ' O ' ' HA ' ' A' 1627 ' ' ILE . 46.9 tp -83.53 134.26 34.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.881 179.06 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.487 HG12 HG12 ' A' 1627 ' ' ILE . 83.4 mt -131.17 131.9 63.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.091 0.472 . . . . 0.0 112.173 -179.072 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.508 ' HB3' HG21 ' A' 1539 ' ' ILE . 28.0 mtm -144.92 123.19 12.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.93 179.018 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.873 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.95 -170.91 41.56 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.049 -1.072 . . . . 0.0 113.336 -179.587 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.426 ' HG2' HD21 ' A' 1624 ' ' LEU . 37.6 mmtm -51.27 165.37 0.14 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.881 0.372 . . . . 0.0 111.387 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.5 pt-20 -71.02 -170.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.055 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -95.09 -178.65 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.25 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' 1617 ' ' TYR . 94.8 mt -103.21 -164.05 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.339 179.994 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.581 ' HA ' ' O ' ' A' 1607 ' ' LEU . 21.4 m-85 . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.887 0.375 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.486 HD12 HD13 ' A' 1583 ' ' ILE . 40.9 pt -123.0 163.94 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.602 179.16 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1619 ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' 1582 ' ' PHE . 6.3 m-85 -116.54 129.44 25.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.129 -179.133 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.07 -177.69 3.66 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.645 2.23 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1621 ' ' LEU . . . . . . . . . . . . . 58.6 tp -153.65 111.45 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -161.75 -164.51 1.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.3 p -60.12 -39.52 86.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.219 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.541 HD11 ' HG2' ' A' 1538 ' ' GLU . 66.1 tp -59.71 -25.9 65.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.856 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 46.2 m -80.2 100.02 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.057 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1626 ' ' TRP . . . . . 0.438 ' O ' ' HA ' ' A' 1601 ' ' ILE . 69.4 t-105 -70.68 110.87 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' 1600 ' ' LEU . 67.5 mt -124.48 132.22 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.97 179.922 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -134.5 137.93 44.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.405 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 50.0 t80 -72.51 110.31 6.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.774 179.663 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -84.45 111.9 37.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.239 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.491 ' HB2' HD11 ' A' 1643 ' ' LEU . 83.1 Cg_exo -47.21 106.57 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.584 2.189 . . . . 0.0 112.454 -179.586 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -54.24 -33.15 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.022 179.847 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -106.41 157.38 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.886 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.4 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.277 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.957 0.408 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -90.3 -65.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 58.7 t80 -102.2 -13.64 17.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.727 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.886 ' HG ' HG22 ' A' 1634 ' ' THR . 2.5 mm? -67.63 -19.23 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.962 -179.798 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.95 99.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -76.1 -24.3 54.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.893 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.537 HD12 HD13 ' A' 1643 ' ' LEU . 97.2 mt -77.59 -27.63 51.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -67.77 -29.39 68.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.751 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.31 7.45 22.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.87 179.827 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.603 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 80.5 t80 -117.62 -40.63 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -69.37 -48.64 60.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -79.27 -4.86 52.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.222 -179.55 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.4 t70 -95.77 -25.1 16.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1653 ' ' ILE . . . . . . . . . . . . . 9.0 tp -96.68 -22.13 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 179.736 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 45.2 t80 -89.15 -46.95 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.39 -63.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.009 -179.343 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.1 m-20 -70.12 -43.22 71.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.167 -179.594 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 62.55 -168.46 17.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 -179.91 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.7 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.907 179.926 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.663 0.268 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A 1514 ' ' CYS . . . . . 0.477 ' CB ' ' HA ' ' A' 1588 ' ' CYS . 7.4 t -48.78 103.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.267 179.67 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1515 ' ' GLY . . . . . 0.796 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 80.27 45.54 8.06 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.609 -178.911 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -45.23 123.78 4.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.532 -179.495 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1517 ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' 1515 ' ' GLY . 63.3 mtt -121.66 -169.56 1.89 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.803 179.578 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -123.98 158.26 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -71.61 177.66 3.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.081 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.59 -80.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 82.7 mt -101.71 108.48 20.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -128.02 97.61 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.41 91.67 8.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.227 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.4 t -177.48 -16.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.849 179.694 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 76.6 mt -94.81 127.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1526 ' ' SER . . . . . 0.488 ' HB2' ' OG1' ' A' 1529 ' ' THR . 36.7 m -87.41 163.46 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -62.53 -57.94 9.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1528 ' ' GLU . . . . . 0.574 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 6.1 pt-20 -58.62 -26.01 63.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.543 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1529 ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' A' 1526 ' ' SER . 85.1 m -58.15 -44.23 87.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.315 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1530 ' ' ARG . . . . . 0.436 ' NH2' HD23 ' A' 1646 ' ' LEU . 49.7 ptt85 -100.36 -14.15 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 -179.812 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1531 ' ' LYS . . . . . 0.574 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 1.2 tmtp? -68.25 -38.07 81.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.915 -179.798 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1532 ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.0 mt-30 -58.89 -18.79 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.951 0.405 . . . . 0.0 110.268 179.492 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.836 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 45.7 m -83.48 -28.86 28.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.578 179.619 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.98 73.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.014 179.737 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.8 t -87.85 2.02 52.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.584 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1536 ' ' LYS . . . . . 0.836 ' HE2' ' HA ' ' A' 1533 ' ' THR . 23.5 ttmm -57.81 138.82 82.66 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 179.91 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.38 -20.05 61.36 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.451 2.101 . . . . 0.0 112.143 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1538 ' ' GLU . . . . . 0.629 ' H ' ' HG2' ' A' 1536 ' ' LYS . 41.4 tt0 -85.53 -16.92 37.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.771 179.853 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1539 ' ' ILE . . . . . 0.751 HD12 ' HA2' ' A' 1603 ' ' GLY . 48.8 mm -112.19 118.44 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.891 179.874 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.465 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -77.92 -69.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.599 -179.774 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1541 ' ' TYR . . . . . 0.483 ' HB2' ' CE2' ' A' 1543 ' ' TYR . 7.2 p90 -96.48 151.64 19.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.372 0.606 . . . . 0.0 112.089 -178.842 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1542 ' ' ALA . . . . . 0.45 ' HB1' ' SD ' ' A' 1602 ' ' MET . . . -146.12 97.84 3.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.699 179.305 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1543 ' ' TYR . . . . . 0.815 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.2 p90 -154.03 174.29 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.135 0.493 . . . . 0.0 112.107 -178.735 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1544 ' ' LYS . . . . . 0.54 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 62.4 pttt -111.02 147.78 34.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.596 178.819 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1545 ' ' VAL . . . . . 0.84 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.4 m -137.64 -176.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.94 0.4 . . . . 0.0 111.662 -178.942 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1546 ' ' SER . . . . . 0.771 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.0 t -145.04 124.9 13.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.932 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 42.6 mm -69.48 138.5 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.79 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 66.3 p -128.81 -29.59 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.618 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.609 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 72.9 m -151.27 152.98 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 111.424 -179.521 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1550 ' ' ILE . . . . . 0.469 HG12 ' HD2' ' A' 1559 ' ' TYR . 76.5 mt -133.98 134.92 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 83.0 m -136.35 129.02 30.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.227 -179.866 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1552 ' ' VAL . . . . . 0.685 HG13 HG22 ' A' 1557 ' ' VAL . 93.7 t -101.58 124.22 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -116.67 95.73 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 79.3 m-20 56.69 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.353 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.457 HG13 HG12 ' A' 1586 ' ' VAL . 88.7 t -107.11 -58.37 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.042 -179.851 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -69.09 119.24 13.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1557 ' ' VAL . . . . . 0.685 HG22 HG13 ' A' 1552 ' ' VAL . 59.8 t -95.28 114.97 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1558 ' ' LYS . . . . . 0.514 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.9 OUTLIER -86.64 160.31 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.918 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A 1559 ' ' TYR . . . . . 0.469 ' HD2' HG12 ' A' 1550 ' ' ILE . 97.2 m-85 -139.5 112.32 7.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1560 ' ' LYS . . . . . 0.609 ' HB2' ' HB2' ' A' 1549 ' ' SER . 75.7 mmtt -85.4 102.66 13.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.578 179.744 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -122.97 -177.35 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.187 -179.723 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.6 m -136.45 124.98 23.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1563 ' ' LEU . . . . . 0.84 ' HA ' HG12 ' A' 1545 ' ' VAL . 3.7 tt -59.94 136.26 57.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.561 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1564 ' ' LEU . . . . . 0.771 HD11 ' HB2' ' A' 1546 ' ' SER . 91.7 mt -96.16 -49.03 5.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.526 -179.091 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1565 ' ' ASP . . . . . 0.513 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 9.7 t70 -156.74 127.31 6.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1566 ' ' ILE . . . . . 0.815 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 2.7 pt -87.53 110.42 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.937 -179.686 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1567 ' ' TYR . . . . . 0.662 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 79.8 m-85 -85.2 -16.19 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.6 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1568 ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.9 tmtt? -157.94 87.61 0.94 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.823 178.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 97.8 m -36.34 136.11 0.34 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.418 -178.705 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1570 ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -71.34 -153.74 1.45 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.156 179.493 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -129.59 -19.45 3.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.87 0.367 . . . . 0.0 110.553 179.71 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -110.84 73.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.385 179.33 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 90.8 t 53.74 91.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.173 -179.506 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1574 ' ' ALA . . . . . . . . . . . . . . . -129.41 146.58 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1575 ' ' GLU . . . . . 0.861 ' HB2' ' HB3' ' A' 1578 ' ' SER . 13.8 mm-40 -156.04 159.57 39.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.802 -179.722 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.708 ' HB3' HG12 ' A' 1566 ' ' ILE . 0.0 OUTLIER -78.23 39.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.26 -179.737 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A 1577 ' ' ASP . . . . . 0.71 ' HA ' ' O ' ' A' 1563 ' ' LEU . 18.7 t70 165.41 16.7 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.567 -179.49 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1578 ' ' SER . . . . . 0.861 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 31.7 p -76.13 -170.45 1.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.044 0.45 . . . . 0.0 111.31 -179.754 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -97.85 147.99 23.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.572 179.885 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1580 ' ' ILE . . . . . 0.666 HD12 ' HE2' ' A' 1582 ' ' PHE . 20.5 pt -146.08 147.18 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.46 -179.616 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 15.4 m -136.41 100.4 4.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1582 ' ' PHE . . . . . 0.666 ' HE2' HD12 ' A' 1580 ' ' ILE . 90.6 m-85 -84.74 152.68 23.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.06 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1583 ' ' ILE . . . . . 0.812 HD13 HD12 ' A' 1618 ' ' ILE . 36.9 pt -135.32 136.79 50.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 179.563 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1584 ' ' LYS . . . . . 0.516 ' HB2' HD12 ' A' 1621 ' ' LEU . 37.3 ttpt -132.53 145.86 51.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.701 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1585 ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.7 mptp? -82.4 129.17 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 179.625 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1586 ' ' VAL . . . . . 0.457 HG12 HG13 ' A' 1555 ' ' VAL . 12.2 p -65.7 -8.43 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.7 p -86.74 -6.74 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.57 -179.767 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1588 ' ' CYS . . . . . 0.477 ' HA ' ' CB ' ' A' 1514 ' ' CYS . 34.0 m -72.77 -178.06 2.56 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.905 0.383 . . . . 0.0 111.051 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 48.9 m -154.62 -23.54 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 -179.841 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.18 9.03 38.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.07 -179.677 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1591 ' ' ALA . . . . . 0.796 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -122.69 114.56 20.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 111.191 179.851 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -139.78 140.47 36.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.728 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 88.6 mt -125.65 169.8 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1594 ' ' VAL . . . . . 0.787 HG11 ' HD2' ' A' 1597 ' ' ARG . 11.9 p -145.98 147.23 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -90.79 127.44 36.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.025 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 115.65 -24.23 10.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.771 179.796 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.787 ' HD2' HG11 ' A' 1594 ' ' VAL . 91.6 mtt180 -96.96 176.12 6.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 111.485 -179.857 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -116.83 150.08 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -142.94 144.91 32.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.495 -179.742 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1600 ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' 1627 ' ' ILE . 50.1 tp -93.65 120.98 34.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.208 179.3 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1601 ' ' ILE . . . . . 0.511 HD13 HG22 ' A' 1545 ' ' VAL . 3.1 mp -117.21 129.47 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 112.053 -179.164 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1602 ' ' MET . . . . . 0.45 ' SD ' ' HB1' ' A' 1542 ' ' ALA . 31.6 mtm -141.62 111.1 6.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.481 178.841 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1603 ' ' GLY . . . . . 0.751 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -159.71 -177.32 32.7 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 119.995 -1.098 . . . . 0.0 113.651 -178.951 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1604 ' ' LYS . . . . . 0.522 ' HG3' ' N ' ' A' 1605 ' ' GLU . 16.7 tppt? -62.07 163.52 7.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.688 0.28 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1605 ' ' GLU . . . . . 0.522 ' N ' ' HG3' ' A' 1604 ' ' LYS . 32.9 tt0 -48.02 150.77 1.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.248 179.9 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -68.27 177.33 2.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1607 ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' 1607 ' ' LEU . 7.1 mp -78.97 176.61 9.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.733 179.873 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1608 ' ' GLN . . . . . 0.663 ' HG2' ' HE1' ' A' 1617 ' ' TYR . 46.6 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.317 -179.721 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1617 ' ' TYR . . . . . 0.663 ' HE1' ' HG2' ' A' 1608 ' ' GLN . 29.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.852 0.358 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1618 ' ' ILE . . . . . 0.812 HD12 HD13 ' A' 1583 ' ' ILE . 25.0 pt -139.26 156.01 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.701 179.516 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -112.82 132.67 22.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.289 -179.297 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.86 176.95 8.75 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.63 2.22 . . . . 0.0 112.254 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1621 ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' 1582 ' ' PHE . 98.3 mt -145.2 23.31 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.35 -167.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.272 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.8 p -61.84 -44.33 97.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.247 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1624 ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' 1624 ' ' LEU . 3.0 tm? -56.53 -31.19 63.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 37.9 m -62.16 116.52 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.283 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -85.98 112.92 21.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1627 ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.3 mt -126.63 130.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -138.53 114.59 10.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1629 ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 66.2 t80 -53.14 132.2 37.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.195 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1630 ' ' TRP . . . . . 0.422 ' CE2' HD13 ' A' 1646 ' ' LEU . 4.5 t-105 -99.39 105.62 34.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.229 179.488 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1631 ' ' PRO . . . . . 0.82 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 72.0 Cg_exo -48.41 105.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.56 2.174 . . . . 0.0 112.546 -179.75 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1632 ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' 1632 ' ' ARG . 6.8 tpm_? -68.79 -36.07 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -75.54 140.11 42.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1634 ' ' THR . . . . . 0.702 HG22 ' HG ' ' A' 1643 ' ' LEU . 65.6 p . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1640 ' ' GLN . . . . . 0.847 ' HB3' HD23 ' A' 1643 ' ' LEU . 55.2 tt0 . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 120.629 0.252 . . . . 0.0 111.388 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -98.43 -86.98 0.35 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.808 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1642 ' ' PHE . . . . . 0.82 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 32.0 t80 -65.18 -16.48 63.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.394 0.616 . . . . 0.0 109.488 179.117 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1643 ' ' LEU . . . . . 0.847 HD23 ' HB3' ' A' 1640 ' ' GLN . 2.8 mm? -62.63 -28.75 70.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -66.47 -25.25 66.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.635 179.516 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -87.49 -30.19 20.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.436 179.705 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1646 ' ' LEU . . . . . 0.593 HD12 HD13 ' A' 1643 ' ' LEU . 76.3 mt -75.47 -26.69 58.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.64 -29.49 67.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -82.96 2.16 36.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.796 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1649 ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' 1653 ' ' ILE . 89.3 t80 -112.14 -43.75 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.852 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -61.17 -16.33 43.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -179.769 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -114.1 -3.16 13.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.137 -179.534 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1652 ' ' ASP . . . . . 0.541 ' O ' ' HB2' ' A' 1656 ' ' ASN . 19.0 t70 -102.24 -20.91 14.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.251 -179.891 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1653 ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' 1649 ' ' PHE . 9.7 tp -107.09 -25.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 47.4 t80 -85.27 -48.88 8.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1655 ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' 1655 ' ' LEU . 5.4 tt -72.44 -45.07 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.637 -179.378 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1656 ' ' ASN . . . . . 0.541 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.0 m-20 -80.27 -75.62 0.26 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.193 -179.538 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 130.33 -56.46 0.74 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A 1658 ' ' CYS . . . . . 0.403 ' OXT' ' HE2' ' A' 1531 ' ' LYS . 43.7 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 79.0 p -95.05 113.94 25.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.2 m80 -117.44 144.44 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.0 tpt -130.76 133.83 46.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.752 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -154.29 139.7 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.511 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 9.5 m-20 -68.93 -18.26 64.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.347 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' 1516 ' ' GLN . 12.4 p 39.88 -145.33 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' 1591 ' ' ALA . . . -63.86 77.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.447 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' 1514 ' ' CYS . 20.6 pt20 -42.48 137.14 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.283 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 25.7 mmt -113.46 172.01 7.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.014 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -117.55 173.53 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.825 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.49 154.37 36.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.99 -41.85 25.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.85 111.03 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 10.7 t70 -154.86 121.78 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.755 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.513 HD21 ' HB1' ' A' 1641 ' ' ALA . 93.4 mt -77.02 99.69 5.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1524 ' ' THR . . . . . 0.488 HG23 HG13 ' A' 1525 ' ' ILE . 8.9 t -175.39 -28.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.529 ' HB ' ' HE1' ' A' 1642 ' ' PHE . 60.4 mt -89.83 108.41 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.1 m -85.62 178.05 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.03 68.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.55 -23.34 56.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 49.6 m -66.87 -28.36 68.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.98 0.419 . . . . 0.0 110.759 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.551 HH21 ' HG ' ' A' 1600 ' ' LEU . 46.0 mtp180 -95.7 12.47 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.693 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.818 ' HE2' HD13 ' A' 1653 ' ' ILE . 3.6 tppp? -119.72 -52.44 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.311 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -54.96 -20.75 9.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.459 . . . . 0.0 110.204 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.617 ' O ' HG13 ' A' 1539 ' ' ILE . 35.3 m -104.72 -19.96 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.517 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' 1530 ' ' ARG . . . -70.19 -54.61 12.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1535 ' ' CYS . . . . . 0.423 ' HA ' ' HE2' ' A' 1568 ' ' LYS . 4.5 t -71.7 -2.17 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.731 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 39.6 ttpt -58.64 138.77 86.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.84 -40.09 81.74 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.73 2.287 . . . . 0.0 112.813 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.731 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 0.4 OUTLIER -59.36 -19.55 47.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 110.607 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' 1533 ' ' THR . 17.9 mm -102.18 120.55 52.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.206 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -93.29 -30.37 15.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.742 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.597 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.6 p90 -139.43 158.62 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.144 0.497 . . . . 0.0 111.864 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.461 ' HB1' ' SD ' ' A' 1602 ' ' MET . . . -149.53 89.33 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.253 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.698 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 16.5 p90 -138.81 164.16 30.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.625 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.563 ' NZ ' ' HB3' ' A' 1544 ' ' LYS . 0.0 OUTLIER -111.31 130.73 55.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.149 179.546 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.2 m -125.67 -178.92 2.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.661 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 16.4 t -142.07 140.73 32.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.73 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' 1561 ' ' ALA . 45.2 mm -78.33 137.38 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1548 ' ' THR . . . . . 0.451 ' O ' ' HE3' ' A' 1595 ' ' LYS . 5.2 t -134.51 -17.0 2.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.277 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.765 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 57.8 m -156.71 146.14 20.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 60.8 mt -135.81 138.01 48.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1551 ' ' THR . . . . . 0.55 ' O ' ' HB ' ' A' 1557 ' ' VAL . 64.0 m -115.69 136.67 52.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.894 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 41.0 t -134.2 125.2 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1553 ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' 1556 ' ' PHE . 43.9 mt-10 -116.24 -161.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -53.98 -53.1 57.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.195 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' 1556 ' ' PHE . 6.9 m -132.67 -51.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.42 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.493 ' O ' ' HB2' ' A' 1553 ' ' GLU . 52.0 m-85 -82.21 131.46 35.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' A' 1551 ' ' THR . 8.0 m -125.98 160.78 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.677 ' HG2' HG22 ' A' 1583 ' ' ILE . 86.9 mttt -126.76 170.99 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.794 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' 1581 ' ' THR . 96.6 m-85 -140.7 112.92 7.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.765 ' HB2' ' HB2' ' A' 1549 ' ' SER . 75.8 mmtt -92.08 107.92 19.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.45 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.508 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.32 152.48 50.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.404 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -102.6 141.06 36.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.091 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.861 ' HA ' HG12 ' A' 1545 ' ' VAL . 7.3 tt -77.38 135.4 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.4 mp -92.92 -48.36 6.57 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.008 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.8 t70 -160.37 145.12 14.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.916 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.698 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 59.8 mt -108.7 126.05 65.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.942 0.401 . . . . 0.0 111.887 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' 1542 ' ' ALA . 77.9 m-85 -99.32 -25.0 14.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.43 ' HB2' ' N ' ' A' 1542 ' ' ALA . 28.9 mtpp -140.33 113.36 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.649 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 45.6 m -46.56 141.08 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.607 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.776 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.58 131.36 10.56 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.646 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.692 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 41.8 mt-10 -60.68 -26.73 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.416 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.578 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -90.54 67.23 6.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.511 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' 1573 ' ' VAL . 7.2 p 38.19 80.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.058 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.776 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.46 128.73 56.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.496 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.413 ' CG ' ' HB3' ' A' 1578 ' ' SER . 12.5 pt-20 -143.4 160.14 41.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.972 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 24.1 tptm -53.66 110.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.685 ' HA ' ' O ' ' A' 1563 ' ' LEU . 14.5 t70 61.08 80.98 0.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.113 0.482 . . . . 0.0 110.789 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.555 ' H ' ' HB3' ' A' 1563 ' ' LEU . 49.8 p -114.84 -166.68 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.11 102.2 8.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.494 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.726 HD12 ' HE1' ' A' 1582 ' ' PHE . 24.2 pt -108.84 148.4 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.362 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1581 ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' 1559 ' ' TYR . 59.9 m -136.39 118.37 15.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.726 ' HE1' HD12 ' A' 1580 ' ' ILE . 59.8 m-85 -99.69 128.35 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.677 HG22 ' HG2' ' A' 1558 ' ' LYS . 16.1 pt -121.52 149.8 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.54 ' HB3' HD23 ' A' 1621 ' ' LEU . 0.0 OUTLIER -170.08 177.61 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 179.268 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' 1584 ' ' LYS . 95.1 mttt -89.17 158.14 18.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.008 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.5 p -75.17 -3.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.002 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.5 p -73.64 0.62 12.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.323 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.647 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 42.7 t -76.34 112.07 12.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1589 ' ' THR . . . . . 0.4 ' O ' HG22 ' A' 1589 ' ' THR . 5.0 m -115.24 34.04 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.511 ' OD1' ' HA ' ' A' 1513 ' ' ASP . 15.2 m120 -145.11 -11.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.473 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.647 ' HB3' ' SG ' ' A' 1588 ' ' CYS . . . -127.61 130.22 48.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.347 . . . . 0.0 111.496 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -147.73 103.91 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.67 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.7 mt -82.43 151.44 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 46.3 t -116.13 141.16 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.451 ' HE3' ' O ' ' A' 1548 ' ' THR . 87.3 tttt -79.48 106.35 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 124.75 -17.07 7.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.724 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -92.31 175.03 7.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.028 0.442 . . . . 0.0 111.308 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -116.27 148.64 40.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.628 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -142.36 140.59 32.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 111.378 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.645 HD11 ' HG3' ' A' 1602 ' ' MET . 3.2 tm? -91.72 142.18 27.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.878 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.564 ' H ' HD22 ' A' 1600 ' ' LEU . 87.1 mt -138.6 130.11 36.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.645 ' HG3' HD11 ' A' 1600 ' ' LEU . 17.5 mtm -144.06 104.58 4.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.7 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.579 ' N ' HG23 ' A' 1539 ' ' ILE . . . -167.62 179.59 40.95 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.335 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.6 tppp? -59.41 162.8 4.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.692 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 13.0 pt-20 -62.28 179.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.578 ' H ' ' HB2' ' A' 1572 ' ' ALA . . . -106.7 158.83 16.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.203 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' 1607 ' ' LEU . 3.8 pp -65.03 147.71 52.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.425 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.508 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 20.0 mt-30 -117.6 134.8 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.175 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.761 HG12 ' HB3' ' A' 1615 ' ' PHE . 0.2 OUTLIER -141.88 -14.11 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.959 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.836 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 62.6 tttm -38.67 124.67 1.36 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.358 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 66.9 t80 -133.6 -34.76 1.02 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -151.81 -53.01 0.12 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -170.52 -37.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.17 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 50.1 m -67.73 -9.11 41.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.073 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.761 ' HB3' HG12 ' A' 1609 ' ' ILE . 89.8 m-85 -126.98 173.26 9.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.631 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.836 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 69.0 ttt180 -175.65 -108.18 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.725 0.298 . . . . 0.0 111.217 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.711 ' HD1' ' HG2' ' A' 1616 ' ' ARG . 76.1 m-85 -134.71 -52.22 0.8 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.678 HD11 HD11 ' A' 1609 ' ' ILE . 0.1 OUTLIER 32.74 94.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.188 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.494 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 59.6 m-85 -49.33 139.63 13.87 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.48 -19.18 17.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.452 2.101 . . . . 0.0 112.38 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' 1584 ' ' LYS . 51.5 tp 54.96 92.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.979 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -121.94 -174.86 2.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 56.9 p -73.78 -28.2 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.478 ' C ' HD12 ' A' 1624 ' ' LEU . 3.8 pp -62.16 -33.09 73.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.36 . . . . 0.0 110.645 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.5 ' O ' HG13 ' A' 1627 ' ' ILE . 47.4 m -59.35 93.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.192 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' A' 1601 ' ' ILE . 63.7 t-105 -59.18 103.85 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.759 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.552 ' HA ' ' O ' ' A' 1600 ' ' LEU . 72.9 mt -119.17 132.52 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.21 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -139.38 117.43 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 20.5 t80 -56.44 121.89 10.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.448 ' CH2' ' HB3' ' A' 1646 ' ' LEU . 2.1 t-105 -99.6 107.43 45.63 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.239 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.484 ' HB2' HD11 ' A' 1643 ' ' LEU . 89.2 Cg_exo -46.8 104.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.502 2.135 . . . . 0.0 112.415 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -53.49 -31.81 47.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -110.1 154.67 22.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.696 HG22 HD13 ' A' 1643 ' ' LEU . 81.8 p -115.28 -19.47 10.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 73.3 p -127.86 67.56 1.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 95.6 m -145.63 -32.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.792 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 80.4 p -92.24 -0.73 57.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 35.0 t 59.15 17.41 5.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 52.1 t -103.72 -73.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.068 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 49.11 80.78 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1641 ' ' ALA . . . . . 0.513 ' HB1' HD21 ' A' 1523 ' ' LEU . . . -143.63 -48.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.899 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.529 ' HE1' ' HB ' ' A' 1525 ' ' ILE . 68.6 t80 -72.05 -18.3 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.517 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.696 HD13 HG22 ' A' 1634 ' ' THR . 86.3 mt -83.86 4.21 30.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -89.67 -35.98 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.049 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -82.83 -24.53 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.525 HD12 HD23 ' A' 1643 ' ' LEU . 86.9 mt -71.47 -33.09 69.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.75 -31.25 71.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -70.85 -39.86 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.579 ' HE1' ' HE3' ' A' 1531 ' ' LYS . 90.9 t80 -69.88 -27.15 64.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -54.89 -54.92 36.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.419 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -86.64 -4.01 59.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 23.6 t70 -78.62 -68.94 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.818 HD13 ' HE2' ' A' 1531 ' ' LYS . 4.8 tp -56.61 -32.52 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.938 0.399 . . . . 0.0 110.974 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.89 -49.75 64.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -91.92 -71.54 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.991 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 14.2 m120 -54.27 -74.76 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.599 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 70.88 157.52 2.37 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.232 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.157 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 48.2 t 59.15 99.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.881 0.372 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -115.38 3.05 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.1 ptt? -92.28 141.63 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -169.86 -77.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -138.84 -73.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.546 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.512 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 16.0 t 51.23 95.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.65 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 74.69 43.96 27.31 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.676 -0.774 . . . . 0.0 111.741 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.7 135.23 19.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.908 0.385 . . . . 0.0 111.199 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' 1515 ' ' GLY . 85.7 mtp -129.1 167.23 17.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -91.14 169.72 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.16 172.16 6.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -110.1 113.75 26.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 84.1 mt 59.49 97.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.484 ' O ' HG22 ' A' 1524 ' ' THR . 8.4 t70 -160.73 89.16 0.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.586 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.889 ' H ' HD22 ' A' 1523 ' ' LEU . 0.5 OUTLIER -56.36 101.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1524 ' ' THR . . . . . 0.484 HG22 ' O ' ' A' 1522 ' ' ASP . 10.5 t -173.44 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 9.8 mm -60.5 150.74 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1526 ' ' SER . . . . . 0.475 ' HB2' ' OG1' ' A' 1529 ' ' THR . 54.6 m -118.52 140.04 50.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.0 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' 1532 ' ' GLN . 15.2 mm-40 -84.36 -35.5 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1529 ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' 1526 ' ' SER . 78.7 m -57.98 -34.57 70.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.611 HH12 HD23 ' A' 1646 ' ' LEU . 67.7 mtt180 -76.25 -34.22 59.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.737 ' HE2' HD13 ' A' 1653 ' ' ILE . 2.8 tppp? -72.78 -29.21 63.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.166 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.3 mm-40 -61.81 -16.47 50.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.982 0.42 . . . . 0.0 110.362 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.825 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 28.7 m -116.85 -19.29 9.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.617 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' 1531 ' ' LYS . . . -78.81 -25.07 44.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.203 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.8 t -85.43 -14.62 45.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.825 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.8 mtmt -79.28 149.61 72.81 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.9 -11.51 15.35 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.727 2.285 . . . . 0.0 112.418 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.435 ' C ' HD12 ' A' 1539 ' ' ILE . 40.2 tt0 -61.1 -34.43 74.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.769 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.939 HG21 ' HG2' ' A' 1602 ' ' MET . 2.6 mp -112.76 130.15 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.11 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.826 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -95.13 -58.45 2.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.27 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.573 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.2 p90 -105.53 157.28 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.276 0.56 . . . . 0.0 111.922 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.53 94.88 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.214 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.785 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 24.1 p90 -144.99 165.86 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.165 0.507 . . . . 0.0 111.873 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.505 ' HD2' HD12 ' A' 1564 ' ' LEU . 18.4 ttmt -105.19 141.27 37.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.914 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.776 HG11 HD11 ' A' 1580 ' ' ILE . 17.9 m -131.14 179.79 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.998 0.427 . . . . 0.0 111.631 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' 1564 ' ' LEU . 59.9 p -140.06 115.74 10.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.038 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.733 HD13 ' HB2' ' A' 1561 ' ' ALA . 45.9 mm -59.25 139.01 19.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.596 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 76.9 p -138.76 2.13 2.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.89 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 47.4 t -173.18 160.46 4.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.992 0.425 . . . . 0.0 111.572 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.411 HG23 ' CD1' ' A' 1559 ' ' TYR . 81.1 mt -140.3 111.63 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.622 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 56.5 m -114.23 139.57 49.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.248 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.5 p -140.84 135.83 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -100.1 -75.92 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -145.11 -51.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 88.6 t -124.26 -54.39 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.68 100.87 8.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' 1584 ' ' LYS . 13.7 p -81.35 148.04 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.717 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -134.99 112.4 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.433 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 70.5 m-85 -94.27 138.63 32.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.964 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.89 ' HB3' ' HB3' ' A' 1549 ' ' SER . 4.7 tppp? -99.28 128.34 45.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -145.7 138.37 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 111.6 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.3 m -91.71 125.19 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.831 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.773 ' HA ' HG12 ' A' 1545 ' ' VAL . 7.4 tt -59.86 130.27 45.94 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' 1546 ' ' SER . 78.1 mt -88.37 -46.56 9.07 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.196 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.477 ' N ' HD23 ' A' 1563 ' ' LEU . 14.5 t70 -169.43 139.97 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.913 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.785 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 61.2 mt -97.27 121.92 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.762 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.499 ' OH ' ' HE3' ' A' 1544 ' ' LYS . 11.3 m-85 -96.61 -17.38 20.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.331 0.586 . . . . 0.0 109.464 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.495 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 63.0 tttp -150.05 102.13 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.714 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1569 ' ' THR . . . . . 0.419 ' HA ' HG21 ' A' 1566 ' ' ILE . 24.3 m -41.68 135.55 2.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.068 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.668 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -84.4 139.75 18.41 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.661 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.826 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 29.6 mt-10 -52.42 -22.34 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.122 0.487 . . . . 0.0 110.058 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -86.44 -157.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.671 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' 1573 ' ' VAL . 12.4 p -84.15 42.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.254 0.549 . . . . 0.0 111.006 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.668 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -61.77 130.01 43.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' 1563 ' ' LEU . 39.1 tt0 -145.9 145.58 30.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.736 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.451 ' HA ' HD22 ' A' 1563 ' ' LEU . 39.9 ttpt -58.42 126.12 26.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.546 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.713 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.2 t70 64.53 38.49 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.458 ' H ' ' HB3' ' A' 1563 ' ' LEU . 29.7 t -87.79 -178.86 6.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1579 ' ' GLU . . . . . 0.402 ' N ' ' OG ' ' A' 1578 ' ' SER . 41.2 tt0 -107.63 121.51 44.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.512 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.776 HD11 HG11 ' A' 1545 ' ' VAL . 14.6 pt -136.57 149.93 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 111.732 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 53.5 m -128.17 112.74 14.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.547 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' 1619 ' ' TYR . 17.9 m-85 -81.22 104.56 11.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.273 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.657 HG23 ' HA ' ' A' 1620 ' ' PRO . 8.2 tt -88.49 123.4 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.716 ' HD3' HD23 ' A' 1621 ' ' LEU . 35.8 ttpt -129.44 168.06 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.775 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.67 ' HB3' HG22 ' A' 1587 ' ' THR . 3.5 mptp? -99.39 136.77 38.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.397 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 35.9 m -77.97 8.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.398 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1587 ' ' THR . . . . . 0.67 HG22 ' HB3' ' A' 1585 ' ' LYS . 6.6 t -93.18 -5.58 49.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.363 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.512 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 83.1 m -65.22 174.87 1.86 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1589 ' ' THR . . . . . 0.456 ' O ' HG22 ' A' 1589 ' ' THR . 6.0 m -148.51 11.34 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -135.07 -19.61 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.331 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -87.02 126.4 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.362 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -139.72 137.53 35.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.792 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.468 ' HB3' HH22 ' A' 1597 ' ' ARG . 98.9 mt -135.66 135.55 40.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.073 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 1.6 p -132.42 100.81 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.408 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 53.5 tttp -45.97 108.78 0.14 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.225 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 153.32 21.45 0.05 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.081 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.535 ' HD3' ' N ' ' A' 1597 ' ' ARG . 0.3 OUTLIER -160.51 -178.57 6.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 111.113 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -107.1 158.58 16.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.514 ' HE2' ' HE ' ' A' 1597 ' ' ARG . 2.3 m-85 -142.96 161.4 38.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 111.595 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.903 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 3.3 tm? -117.1 129.05 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.772 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.623 HD13 HG22 ' A' 1545 ' ' VAL . 2.4 mp -118.02 132.59 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.997 0.427 . . . . 0.0 111.514 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.939 ' HG2' HG21 ' A' 1539 ' ' ILE . 24.8 ttp -150.14 110.65 4.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.108 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.862 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -174.65 -173.12 40.3 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 119.74 -1.219 . . . . 0.0 113.642 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.505 ' H ' HD11 ' A' 1624 ' ' LEU . 23.7 tptp -50.37 161.47 0.3 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.858 0.361 . . . . 0.0 111.372 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.1 pt-20 -59.95 178.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.464 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.512 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -77.78 -170.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.25 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' 1617 ' ' TYR . 94.6 mt -123.14 -168.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.996 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' 1616 ' ' ARG . 20.5 pt20 -172.48 85.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.151 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.843 HG23 ' HG3' ' A' 1610 ' ' LYS . 10.7 tp -62.42 -15.1 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.313 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.947 ' HB2' ' HA ' ' A' 1615 ' ' PHE . 29.2 mtpp -136.77 -177.65 4.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 20.4 p90 -147.42 -33.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -105.74 161.81 14.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.443 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 66.1 -76.27 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.3 t -156.52 94.62 1.49 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.848 0.356 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.947 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 2.3 p90 -69.26 158.66 34.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.572 ' HG3' HG23 ' A' 1618 ' ' ILE . 21.7 tpt180 -113.37 97.04 6.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.883 0.373 . . . . 0.0 111.016 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' 1607 ' ' LEU . 3.4 m-85 -87.62 27.24 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.455 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.572 HG23 ' HG3' ' A' 1616 ' ' ARG . 20.6 pt -54.83 155.61 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' 1582 ' ' PHE . 7.7 m-85 -110.54 113.64 55.67 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.013 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1620 ' ' PRO . . . . . 0.657 ' HA ' HG23 ' A' 1583 ' ' ILE . 32.6 Cg_endo -63.51 176.38 2.22 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.492 2.128 . . . . 0.0 112.179 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.716 HD23 ' HD3' ' A' 1584 ' ' LYS . 48.7 tp -143.71 106.71 4.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -142.52 -163.57 1.64 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 45.5 t -67.87 -41.4 82.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.435 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.505 HD11 ' H ' ' A' 1604 ' ' LYS . 0.1 OUTLIER -56.78 -33.14 66.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.806 0.336 . . . . 0.0 110.686 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 85.7 m -75.74 103.36 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.543 ' HB3' ' HB3' ' A' 1602 ' ' MET . 47.6 t-105 -59.9 119.99 8.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.4 mm -115.37 115.42 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.731 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.903 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 11.0 tp10 -121.6 110.49 16.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.247 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.495 ' CE2' ' HG3' ' A' 1597 ' ' ARG . 13.4 t80 -60.4 124.41 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.427 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.442 ' CH2' ' HB3' ' A' 1646 ' ' LEU . 7.3 t-105 -101.02 108.84 56.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.7 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.696 ' HB2' HD21 ' A' 1643 ' ' LEU . 46.5 Cg_exo -56.28 127.8 27.52 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.562 2.174 . . . . 0.0 112.33 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -94.77 -23.36 17.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.774 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 3.5 p30 -86.16 129.61 34.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.009 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.442 ' HA ' ' HB3' ' A' 1640 ' ' GLN . 68.7 p -142.48 12.64 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 82.6 p -85.7 -45.23 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.489 ' HB3' ' SG ' ' A' 1639 ' ' CYS . 53.8 t -60.96 152.72 26.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.036 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.4 t -71.17 -52.45 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 54.2 m -59.58 -27.45 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.489 ' SG ' ' HB3' ' A' 1636 ' ' CYS . 73.0 m -80.41 -155.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.748 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.921 ' HA ' HD23 ' A' 1643 ' ' LEU . 20.4 pt20 42.62 30.01 0.2 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -101.44 -23.3 14.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.495 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 56.2 t80 -92.81 -20.23 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.029 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.921 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -73.48 -12.61 60.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -82.27 -23.06 35.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -92.05 -10.78 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.745 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.611 HD23 HH12 ' A' 1530 ' ' ARG . 85.8 mt -93.52 -24.45 17.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.06 -25.05 61.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1648 ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' 1652 ' ' ASP . 40.2 tt0 -76.18 -35.3 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' 1653 ' ' ILE . 88.8 t80 -85.72 -22.79 27.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.7 89.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.97 -33.0 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.651 ' CG ' HD22 ' A' 1656 ' ' ASN . 15.4 t70 -50.99 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.414 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.737 HD13 ' HE2' ' A' 1531 ' ' LYS . 7.0 tp -57.34 -32.11 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.374 . . . . 0.0 111.329 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1654 ' ' PHE . . . . . 0.549 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 16.2 t80 -68.82 -30.86 69.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.436 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.549 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 93.8 mt -101.98 -75.05 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.44 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.651 HD22 ' CG ' ' A' 1652 ' ' ASP . 3.9 p-10 -77.66 -59.61 2.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.525 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.707 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 68.26 105.35 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.546 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1658 ' ' CYS . . . . . 0.592 ' H ' ' HZ3' ' A' 1531 ' ' LYS . 34.7 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.154 -0.927 . . . . 0.0 111.223 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 54.4 m 58.66 -173.14 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.815 0.341 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 63.8 m80 -118.29 129.73 55.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 95.6 mmm -113.42 122.05 46.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -152.74 154.12 34.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.69 -65.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.524 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 50.4 t 58.98 104.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.76 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 97.26 -60.24 1.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.919 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 59.2 tp60 54.97 97.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.763 0.316 . . . . 0.0 111.389 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.593 ' HE2' HG21 ' A' 1627 ' ' ILE . 62.0 mtt -102.17 156.08 17.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1518 ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' 1628 ' ' GLU . 11.5 pt20 -86.09 -175.29 5.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.482 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 47.1 mt-10 -69.82 -170.36 0.32 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.16 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -133.08 130.58 39.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.344 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 30.6 mt 59.74 17.14 6.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.698 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.679 ' HB3' HG22 ' A' 1524 ' ' THR . 1.6 m-20 -84.84 108.15 17.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.696 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.544 HD23 ' HD1' ' A' 1642 ' ' PHE . 27.3 mt -75.33 5.24 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.967 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1524 ' ' THR . . . . . 0.679 HG22 ' HB3' ' A' 1522 ' ' ASP . 6.7 t -60.71 -24.52 65.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.201 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 69.1 mt -89.87 130.87 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 46.2 t -91.05 167.37 12.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -70.75 -20.94 62.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.4 mt-10 -90.4 -40.09 12.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 59.9 m -58.88 -37.39 76.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.502 HH12 HD23 ' A' 1646 ' ' LEU . 42.1 ttm180 -72.41 -34.5 67.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.736 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.727 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 23.2 tptm -67.35 -27.21 66.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.1 mm-40 -57.43 -20.68 31.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.057 0.456 . . . . 0.0 110.463 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.691 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 89.7 m -90.71 -30.31 17.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.817 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.727 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -72.77 1.53 8.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.527 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1535 ' ' CYS . . . . . 0.442 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 19.2 t -123.79 7.61 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.691 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.7 mtmt -86.81 147.53 43.6 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.051 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.96 -30.01 89.09 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.699 2.266 . . . . 0.0 112.186 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' 1538 ' ' GLU . 0.3 OUTLIER -72.06 -12.27 61.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.521 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' 1603 ' ' GLY . 14.7 mm -115.43 115.22 48.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.152 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.433 ' O ' ' HE3' ' A' 1568 ' ' LYS . . . -92.02 -54.32 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.499 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.503 ' HE1' HG22 ' A' 1601 ' ' ILE . 2.7 p90 -112.21 162.93 14.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.317 0.58 . . . . 0.0 112.066 -178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -153.05 98.71 2.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.725 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.646 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.7 OUTLIER -142.83 -179.27 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.282 0.563 . . . . 0.0 112.45 -178.568 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.536 ' HG2' HD12 ' A' 1564 ' ' LEU . 30.2 ttpt -113.31 125.75 54.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.444 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.723 HG11 HD11 ' A' 1580 ' ' ILE . 19.2 m -118.15 -178.93 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.911 0.386 . . . . 0.0 111.656 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.515 ' HB3' HD11 ' A' 1564 ' ' LEU . 81.8 p -149.71 113.64 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.865 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.848 HD13 ' HB2' ' A' 1561 ' ' ALA . 48.5 mm -55.64 119.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.905 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 3.6 t -115.92 -20.42 9.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.466 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.577 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 39.5 t -147.28 153.55 39.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.009 0.433 . . . . 0.0 111.253 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' 1595 ' ' LYS . 83.9 mt -146.52 140.27 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1551 ' ' THR . . . . . 0.693 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 78.3 m -141.76 127.48 19.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.002 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.601 ' HA ' HG13 ' A' 1557 ' ' VAL . 93.3 t -108.18 126.33 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1553 ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' 1556 ' ' PHE . 13.4 mm-40 -106.46 -166.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -62.33 -72.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 97.0 t -97.76 -44.99 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.401 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' 1553 ' ' GLU . 80.4 m-85 -91.26 169.13 11.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.601 HG13 ' HA ' ' A' 1552 ' ' VAL . 21.3 t -137.53 122.74 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.693 ' HB2' ' HB ' ' A' 1551 ' ' THR . 72.4 mmtt -85.65 148.32 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.222 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.461 ' CE2' ' HE3' ' A' 1584 ' ' LYS . 67.1 m-85 -145.24 142.75 29.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.577 ' HB2' ' HB3' ' A' 1549 ' ' SER . 59.5 mttp -137.48 128.44 27.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.526 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.848 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -137.35 142.41 41.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.66 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.0 m -84.51 124.39 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.993 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' 1543 ' ' TYR . 9.1 tp -66.78 97.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.55 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.536 HD12 ' HG2' ' A' 1544 ' ' LYS . 93.7 mt -54.09 -48.34 70.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.455 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.569 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.9 t70 -166.44 162.05 16.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.542 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.646 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 45.8 mt -109.92 136.65 45.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.019 0.437 . . . . 0.0 111.94 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.433 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 21.7 m-85 -112.88 -17.01 12.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.2 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.65 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.6 tttp -154.31 112.18 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.696 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 58.0 m -45.71 147.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.076 0.465 . . . . 0.0 112.029 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.78 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -104.73 133.85 11.74 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.326 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.53 -27.74 66.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.819 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.16 42.2 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 86.4 t 55.58 90.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.198 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.78 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -110.08 137.75 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.708 ' HG2' ' HB2' ' A' 1578 ' ' SER . 0.8 OUTLIER -144.66 146.58 32.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.496 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.476 ' HG3' ' HA ' ' A' 1565 ' ' ASP . 29.1 ttpp -54.75 148.29 13.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.554 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.9 p30 47.08 40.6 9.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.524 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.708 ' HB2' ' HG2' ' A' 1575 ' ' GLU . 24.8 t -83.4 -166.63 1.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.703 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -131.14 111.38 11.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.508 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.723 HD11 HG11 ' A' 1545 ' ' VAL . 6.3 pt -122.68 144.5 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.999 0.428 . . . . 0.0 111.574 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1581 ' ' THR . . . . . 0.456 HG23 ' O ' ' A' 1559 ' ' TYR . 86.4 m -123.1 123.93 41.95 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.357 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.511 ' HE1' HD12 ' A' 1580 ' ' ILE . 69.2 m-85 -112.63 146.77 38.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.572 HG22 ' HA ' ' A' 1558 ' ' LYS . 29.5 pt -139.73 150.49 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 111.145 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.736 ' HB3' HD23 ' A' 1621 ' ' LEU . 22.1 pttp -145.52 -173.95 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -98.56 -176.42 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.813 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.0 p -88.26 -25.4 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 73.9 p -70.32 -22.82 62.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.326 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.524 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.3 m -59.31 104.64 0.27 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.01 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 57.5 m -102.13 -31.7 10.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -74.95 -19.52 60.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.76 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -108.66 109.37 20.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -142.58 108.06 5.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.729 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.0 mt -83.52 164.73 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.019 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.41 HG21 ' NH1' ' A' 1597 ' ' ARG . 85.7 t -132.46 133.18 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.627 ' HB2' HD12 ' A' 1550 ' ' ILE . 41.0 ttmt -62.74 136.4 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 61.1 68.68 1.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.518 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 39.6 ttm180 -162.59 152.55 16.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.582 ' HB2' ' HB3' ' A' 1630 ' ' TRP . 46.3 mt-30 -91.6 134.5 34.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.305 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.518 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 76.2 m-85 -138.5 144.93 40.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.055 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.76 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 59.8 tp -95.85 118.96 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.347 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.503 HG22 ' HE1' ' A' 1541 ' ' TYR . 80.1 mt -111.88 123.21 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.101 0.477 . . . . 0.0 111.783 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.722 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 79.8 mtp -137.04 107.58 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.105 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' 1539 ' ' ILE . . . -170.15 178.4 42.96 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.159 -1.019 . . . . 0.0 113.265 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.564 ' HD3' ' C ' ' A' 1604 ' ' LYS . 0.0 OUTLIER -58.96 166.26 2.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.568 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.819 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.3 pt-20 -66.0 -168.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.363 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.401 ' H ' ' HB2' ' A' 1572 ' ' ALA . . . -82.91 -171.31 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 22.5 tp -131.66 20.2 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.975 0.417 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 40.14 87.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' 1616 ' ' ARG . 7.6 tp -59.9 -48.21 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.396 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.701 ' HG2' ' H ' ' A' 1611 ' ' TYR . 37.7 tttm 49.45 -161.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.956 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1611 ' ' TYR . . . . . 0.701 ' H ' ' HG2' ' A' 1610 ' ' LYS . 48.2 t80 64.11 167.11 0.15 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.093 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 43.8 t30 66.35 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -116.13 -64.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 111.037 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 46.6 t -164.88 166.43 19.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.804 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.472 ' HA ' ' H ' ' A' 1610 ' ' LYS . 44.4 p90 -59.41 141.4 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.541 ' H ' HG22 ' A' 1609 ' ' ILE . 98.4 mtt180 -124.98 -8.8 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 57.37 22.49 7.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.103 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.401 HG12 ' HB ' ' A' 1609 ' ' ILE . 34.8 pt -57.68 139.13 17.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.712 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -97.2 136.21 21.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.142 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.95 -14.52 44.01 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.6 2.2 . . . . 0.0 112.498 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.736 HD23 ' HB3' ' A' 1584 ' ' LYS . 60.9 tp 51.08 89.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.478 ' HB2' ' HG ' ' A' 1624 ' ' LEU . 9.8 m-20 -117.62 -172.77 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' 1515 ' ' GLY . 78.3 p -66.0 -15.43 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' A' 1622 ' ' ASP . 1.4 pp -80.08 -4.09 51.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.4 m -88.67 105.72 17.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.722 ' HB3' ' HB2' ' A' 1602 ' ' MET . 45.4 t-105 -68.64 103.05 1.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.739 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.633 HD11 HD11 ' A' 1621 ' ' LEU . 66.9 mt -110.39 122.28 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.76 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 42.0 tt0 -122.64 147.82 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.54 ' O ' ' HD3' ' A' 1631 ' ' PRO . 20.0 t80 -84.35 124.7 31.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.453 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.582 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 5.0 t-105 -105.36 95.9 10.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.55 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.766 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.6 Cg_exo -55.66 113.81 1.59 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.707 2.271 . . . . 0.0 112.462 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -73.08 -30.51 63.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.787 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.11 129.99 40.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 77.6 p -139.37 -5.13 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 6.6 t -63.61 -29.11 70.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.324 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 81.1 m -100.57 135.1 42.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 55.0 m -80.28 -2.72 46.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 49.0 m -86.22 -4.42 59.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 81.9 m -137.5 -22.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.791 ' HA ' HD23 ' A' 1643 ' ' LEU . 28.8 tt0 -65.01 -20.38 66.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -56.1 -29.69 60.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.544 ' HD1' HD23 ' A' 1523 ' ' LEU . 68.7 t80 -75.78 -30.99 59.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.75 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -78.51 -6.35 55.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.72 -40.88 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.07 -1.27 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' 1643 ' ' LEU . 93.7 mt -95.14 -35.26 11.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.709 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.61 -34.82 78.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.69 -39.86 88.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.45 ' O ' HG22 ' A' 1653 ' ' ILE . 89.9 t80 -63.24 -28.61 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -56.1 -60.76 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -24.25 58.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 21.7 t70 -65.13 -6.77 9.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.269 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.461 HG13 ' HE3' ' A' 1531 ' ' LYS . 20.2 tt -133.03 -25.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.988 0.423 . . . . 0.0 110.899 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.02 -34.61 61.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.836 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' 1655 ' ' LEU . 4.8 tt -80.94 -48.82 11.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.933 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.44 ' ND2' ' H ' ' A' 1657 ' ' GLY . 4.5 p-10 -99.88 -68.06 0.82 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.721 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.44 ' H ' ' ND2' ' A' 1656 ' ' ASN . . . 71.55 100.97 0.06 OUTLIER Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.344 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1658 ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 41.6 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.925 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 52.5 m -141.01 158.15 44.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -91.06 117.75 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.87 -176.19 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -146.32 162.57 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -90.88 25.6 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 29.0 t -50.4 107.63 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.9 0.381 . . . . 0.0 110.351 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.452 ' H ' ' HA ' ' A' 1623 ' ' SER . . . 80.97 40.9 11.02 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.744 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -41.64 103.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.32 -0.44 . . . . 0.0 111.229 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' 1515 ' ' GLY . 64.4 mtt -93.91 124.83 38.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -66.07 169.95 6.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -68.8 168.44 13.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.067 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -108.09 130.99 55.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 98.1 mt 55.72 87.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -148.17 102.56 3.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' 1642 ' ' PHE . 97.6 mt -70.69 97.42 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1524 ' ' THR . . . . . 0.53 HG23 HG13 ' A' 1525 ' ' ILE . 6.8 t -167.44 -23.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.53 HG13 HG23 ' A' 1524 ' ' THR . 52.8 mt -97.79 105.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 83.0 p -63.6 164.48 9.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1527 ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -70.86 -8.85 55.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.1 mt-10 -94.91 -31.37 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 69.2 m -62.52 -33.86 75.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' 1530 ' ' ARG . 61.0 mtt180 -83.61 -40.35 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1531 ' ' LYS . . . . . . . . . . . . . 63.9 tttm -59.57 -45.86 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' 1528 ' ' GLU . 79.9 mt-30 -58.14 -24.14 57.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.015 0.436 . . . . 0.0 110.186 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.79 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 60.5 m -86.24 -26.89 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.419 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.12 87.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.959 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 36.9 t -91.22 3.05 55.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.79 ' HE3' ' HA ' ' A' 1533 ' ' THR . 40.6 ttmt -58.26 140.92 83.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.758 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.51 -20.12 32.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.559 2.173 . . . . 0.0 112.227 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' A' 1536 ' ' LYS . 38.9 tt0 -85.11 -23.84 28.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.699 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.866 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -104.79 115.17 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.33 -47.18 18.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.865 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.7 p90 -125.46 155.77 39.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.158 0.504 . . . . 0.0 111.716 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.612 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -143.62 97.96 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.39 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.743 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.5 p90 -149.53 170.11 19.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.051 0.453 . . . . 0.0 111.798 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' 1564 ' ' LEU . 86.3 tttt -104.78 140.77 37.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.457 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.759 HG12 ' HA ' ' A' 1563 ' ' LEU . 24.3 m -137.05 -178.75 2.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.054 0.454 . . . . 0.0 111.628 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 21.0 t -149.28 127.19 11.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.622 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.26 139.72 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1548 ' ' THR . . . . . 0.464 ' O ' ' HE2' ' A' 1595 ' ' LYS . 68.2 p -131.04 -25.77 2.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.598 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.744 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 38.2 t -150.22 156.24 41.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 0.0 111.332 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 79.9 mt -141.65 111.85 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1551 ' ' THR . . . . . 0.854 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 93.1 m -92.04 123.49 35.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 5.2 p -102.11 132.98 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1553 ' ' GLU . . . . . 0.618 ' HG3' ' H ' ' A' 1554 ' ' ASN . 7.3 tp10 -124.38 177.61 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1554 ' ' ASN . . . . . 0.618 ' H ' ' HG3' ' A' 1553 ' ' GLU . 5.5 p30 -49.53 -45.61 47.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.358 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.439 HG23 ' OD1' ' A' 1554 ' ' ASN . 54.8 t -129.92 -53.05 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 111.19 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -72.35 162.05 30.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.3 t -138.61 106.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.854 ' HB2' ' HB ' ' A' 1551 ' ' THR . 11.5 mptt -79.23 149.16 31.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.596 ' HE2' ' HB3' ' A' 1584 ' ' LYS . 86.2 m-85 -131.1 114.48 15.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.02 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.744 ' HB2' ' HB3' ' A' 1549 ' ' SER . 14.1 mmmm -99.92 109.64 22.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.369 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -125.08 157.9 35.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.0 0.429 . . . . 0.0 111.449 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -105.99 134.32 49.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.018 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.759 ' HA ' HG12 ' A' 1545 ' ' VAL . 5.9 tt -66.11 143.05 57.55 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.572 ' N ' HD23 ' A' 1563 ' ' LEU . 7.5 mp -101.4 -48.65 4.29 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.646 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.483 ' N ' HD23 ' A' 1563 ' ' LEU . 15.5 t70 -166.54 134.11 2.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.512 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.743 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 69.1 mt -91.56 128.25 43.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.095 0.474 . . . . 0.0 112.108 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.706 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 69.8 m-85 -109.12 -15.17 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.187 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.612 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 28.4 tptp -153.47 120.13 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.69 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1569 ' ' THR . . . . . 0.487 HG22 ' H ' ' A' 1571 ' ' GLU . 4.0 m -48.61 157.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.048 0.451 . . . . 0.0 111.829 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.865 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -99.79 3.83 57.55 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.867 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' 1570 ' ' GLY . 44.4 mt-10 74.5 -43.84 0.54 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.474 0.31 . . . . 0.0 110.969 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -87.4 46.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 0.0 110.23 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 81.5 t 59.51 85.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.059 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.577 ' HB1' HD13 ' A' 1566 ' ' ILE . . . -90.62 139.82 30.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.428 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' 1578 ' ' SER . 40.9 mt-10 -131.28 142.46 50.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.805 0.336 . . . . 0.0 111.384 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 60.6 mttp -58.4 139.51 55.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.089 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.744 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.7 p30 46.55 34.48 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.339 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 57.2 p -68.14 -166.99 0.07 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.739 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -115.29 109.2 17.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.588 ' HB ' ' HE2' ' A' 1619 ' ' TYR . 37.6 pt -110.03 139.97 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.618 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 76.7 m -132.47 113.8 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.978 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.752 ' HB3' ' HB2' ' A' 1619 ' ' TYR . 1.7 p90 -123.5 131.86 53.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.754 HG22 ' HG3' ' A' 1558 ' ' LYS . 32.1 pt -100.04 163.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.24 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.841 ' HB2' HD23 ' A' 1621 ' ' LEU . 39.8 ttpt -153.5 140.79 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -79.44 158.03 27.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.8 p -72.86 -11.56 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 81.7 p -69.48 -34.86 74.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.8 m -60.12 111.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.697 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 87.1 m -97.94 -42.78 7.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.48 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 12.5 m120 -70.07 -3.84 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.231 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -108.55 119.17 38.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.073 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -141.4 109.02 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 91.5 mt -97.23 149.02 22.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.673 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 59.8 t -123.53 139.98 48.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.3 tttm -79.93 115.45 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 112.85 -8.45 25.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.773 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.673 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 84.8 mtt180 -92.51 176.1 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 111.41 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -122.41 132.54 54.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -134.26 148.24 50.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.015 0.436 . . . . 0.0 111.364 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' 1543 ' ' TYR . 58.3 tp -97.77 123.9 41.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.019 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.563 HG22 ' HE1' ' A' 1541 ' ' TYR . 63.0 mt -112.67 125.31 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.132 0.492 . . . . 0.0 111.918 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.405 ' O ' ' HB3' ' A' 1626 ' ' TRP . 77.0 mtp -142.61 107.39 4.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.2 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.866 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.54 -168.12 37.36 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.14 -1.029 . . . . 0.0 113.42 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.471 ' HE2' ' HA ' ' A' 1538 ' ' GLU . 71.7 mmtt -50.56 162.03 0.28 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.905 0.383 . . . . 0.0 111.465 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.456 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 12.0 pt-20 -78.15 -172.75 2.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.024 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' 1619 ' ' TYR . . . -84.82 -172.21 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 91.1 mt -121.66 129.66 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.472 ' HG2' ' HE1' ' A' 1617 ' ' TYR . 42.0 mt-30 -78.96 126.11 30.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.681 HD11 ' HD3' ' A' 1616 ' ' ARG . 40.2 pt -130.46 -17.35 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.384 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.825 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 41.0 ttmt 59.03 105.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 77.3 t80 -87.87 -74.16 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.029 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -106.5 -71.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -119.22 -38.85 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 49.4 m -106.01 145.02 31.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.825 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 91.8 m-85 -59.33 133.94 56.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.681 ' HD3' HD11 ' A' 1609 ' ' ILE . 78.7 ttt180 -88.9 105.67 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.658 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.472 ' HE1' ' HG2' ' A' 1608 ' ' GLN . 14.8 m-30 -84.46 102.26 12.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.579 HG23 ' HG2' ' A' 1616 ' ' ARG . 26.6 pt -124.33 130.67 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.752 ' HB2' ' HB3' ' A' 1582 ' ' PHE . 9.6 m-85 -79.06 133.43 61.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.014 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.41 -24.85 11.8 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.64 2.226 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.841 HD23 ' HB2' ' A' 1584 ' ' LYS . 48.9 tp 51.5 82.29 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.77 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 18.7 t70 -97.37 -78.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.452 ' HA ' ' H ' ' A' 1515 ' ' GLY . 80.7 p -162.88 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.408 ' H ' ' H ' ' A' 1623 ' ' SER . 1.7 pp -71.89 -27.82 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.627 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.493 ' O ' HG13 ' A' 1627 ' ' ILE . 61.6 m -57.73 99.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.405 ' HB3' ' O ' ' A' 1602 ' ' MET . 60.8 t-105 -60.93 108.24 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.829 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' 1625 ' ' THR . 71.4 mt -110.97 123.48 66.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -137.17 112.77 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.452 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 67.3 t80 -55.57 139.16 45.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.414 ' HA ' ' HD2' ' A' 1631 ' ' PRO . 5.2 t-105 -103.52 98.56 12.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.566 ' HG2' HD21 ' A' 1643 ' ' LEU . 11.3 Cg_endo -54.79 127.76 27.54 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.832 2.355 . . . . 0.0 112.334 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -111.8 17.34 19.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.223 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1633 ' ' ASP . . . . . 0.463 ' HB2' ' SG ' ' A' 1639 ' ' CYS . 9.7 m-20 -113.81 143.68 44.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.079 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.714 HG22 ' HA ' ' A' 1640 ' ' GLN . 25.0 p -150.61 81.39 1.34 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.793 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.736 HG23 ' H ' ' A' 1636 ' ' CYS . 0.7 OUTLIER -92.04 -67.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.637 -179.833 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.736 ' H ' HG23 ' A' 1635 ' ' THR . 51.9 t -161.92 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.823 0.344 . . . . 0.0 111.168 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 79.7 p -62.46 -169.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.153 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 45.4 t -67.8 0.07 3.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.01 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' 1633 ' ' ASP . 45.1 t -69.71 -16.6 63.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.752 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.714 ' HA ' HG22 ' A' 1634 ' ' THR . 62.5 tt0 -104.26 -39.23 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.13 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.411 ' HA ' HD21 ' A' 1523 ' ' LEU . 79.0 t80 -73.56 -36.43 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.566 HD21 ' HG2' ' A' 1631 ' ' PRO . 41.6 mt -70.44 -29.21 65.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -65.35 -23.86 67.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.588 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.05 -19.97 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.496 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.452 HD12 HD23 ' A' 1643 ' ' LEU . 98.5 mt -82.05 -29.97 31.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.57 -29.38 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.524 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.14 -18.9 65.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.574 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.534 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 64.7 t80 -101.2 -26.69 13.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.678 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -73.86 0.4 13.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.367 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -131.97 -24.77 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' 1656 ' ' ASN . 15.0 t70 -77.48 -30.06 52.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.061 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.588 HG21 ' HD2' ' A' 1567 ' ' TYR . 8.9 tp -67.95 -22.9 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.024 0.44 . . . . 0.0 110.691 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 20.9 t80 -100.76 -39.09 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' 1655 ' ' LEU . 0.6 OUTLIER -72.54 -52.01 17.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.362 -179.405 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' 1652 ' ' ASP . 2.7 m-20 -86.92 -67.3 0.83 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.056 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 79.82 164.48 29.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.94 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.4 t -142.52 160.07 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -101.02 143.8 30.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1511 ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' 1511 ' ' MET . 1.8 mpt? -96.05 -174.56 3.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -138.93 122.99 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.78 106.89 18.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.073 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.741 ' HB2' ' HA ' ' A' 1622 ' ' ASP . 0.1 OUTLIER -94.26 89.55 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.765 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.4 ' N ' ' HA ' ' A' 1623 ' ' SER . . . 138.39 -53.51 0.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.33 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 53.99 91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.776 0.322 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 78.6 mtp -62.45 136.33 57.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.776 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.35 167.38 19.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 45.9 mt-10 -62.45 159.25 15.9 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.56 -76.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.805 ' HG ' ' HB2' ' A' 1642 ' ' PHE . 4.9 mp -97.49 57.16 1.37 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.643 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 12.7 t70 -70.6 87.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.028 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' 1521 ' ' LEU . 6.0 mt -88.99 22.42 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.179 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 77.2 p -94.63 -22.26 18.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.251 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.467 HG13 ' OD1' ' A' 1522 ' ' ASP . 92.9 mt -84.7 137.17 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 54.7 m -82.81 -173.71 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.801 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -99.34 1.23 44.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -123.04 -2.9 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 67.8 m -82.38 -47.98 11.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.066 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -95.11 -8.28 36.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.411 ' HG3' ' HE1' ' A' 1649 ' ' PHE . 54.9 tttm -64.87 -40.28 94.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -59.18 -17.09 24.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.578 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.64 ' HA ' ' HB2' ' A' 1536 ' ' LYS . 59.7 m -82.39 -33.65 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.837 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -61.53 -23.18 65.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.0 t -121.99 5.42 9.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.76 ' HB3' HD13 ' A' 1539 ' ' ILE . 39.6 ttmt -59.32 140.84 87.91 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.669 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.42 -32.1 71.35 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.596 2.197 . . . . 0.0 112.311 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.525 ' O ' ' HE2' ' A' 1604 ' ' LYS . 36.9 tt0 -74.67 -22.6 58.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.904 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.1 mp -101.79 122.65 54.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.492 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -84.51 -55.69 4.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.431 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.515 ' HE1' HG22 ' A' 1601 ' ' ILE . 6.6 p90 -112.78 158.33 20.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.309 0.576 . . . . 0.0 112.07 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.97 96.82 2.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.493 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.653 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 0.3 OUTLIER -146.6 -175.16 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 112.355 -178.627 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.503 ' HG2' HD12 ' A' 1564 ' ' LEU . 31.9 ttpt -118.26 126.7 52.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.708 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.777 HG12 ' HA ' ' A' 1563 ' ' LEU . 22.4 m -121.43 -174.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.26 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.662 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.9 t -156.06 114.63 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.624 HD13 ' HB2' ' A' 1561 ' ' ALA . 40.5 mm -59.62 143.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 4.0 t -148.62 -7.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.479 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.844 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 57.4 m -154.11 134.15 13.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' 1595 ' ' LYS . 73.6 mt -132.38 136.51 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 62.8 m -148.3 130.12 15.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.737 HG23 HG22 ' A' 1557 ' ' VAL . 7.6 p -109.34 141.08 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -103.03 -74.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -144.82 -77.01 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 31.6 t -93.42 -49.64 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -94.57 141.8 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.605 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.737 HG22 HG23 ' A' 1552 ' ' VAL . 41.1 t -110.11 128.32 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.234 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.461 ' HE2' HD12 ' A' 1583 ' ' ILE . 35.2 mmtp -90.26 143.96 26.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.41 ' HD1' HG12 ' A' 1550 ' ' ILE . 90.3 m-85 -132.18 102.63 5.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.296 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.844 ' HB2' ' HB2' ' A' 1549 ' ' SER . 35.1 mmtp -79.29 116.73 19.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.233 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.624 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -129.15 167.14 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.087 0.47 . . . . 0.0 111.651 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 20.5 m -116.07 123.4 47.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.735 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.786 HD21 HG12 ' A' 1566 ' ' ILE . 13.0 tp -68.26 98.77 0.84 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.535 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' 1546 ' ' SER . 87.1 mt -54.67 -61.36 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.319 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' 1543 ' ' TYR . 7.4 m-20 -145.03 165.73 27.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.654 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.786 HG12 HD21 ' A' 1563 ' ' LEU . 55.6 mt -118.3 134.49 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.959 0.409 . . . . 0.0 111.936 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.653 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -113.23 -18.77 12.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 6.9 tmtm? -156.59 110.32 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.5 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 24.6 m -43.3 148.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.175 0.512 . . . . 0.0 112.1 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.85 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -105.46 131.64 10.74 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.475 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.31 -26.82 68.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 110.573 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.822 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.14 42.73 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.473 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 80.4 t 58.9 88.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.428 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.85 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -116.94 120.71 39.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.25 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.581 ' HB3' ' HB3' ' A' 1578 ' ' SER . 9.7 tp10 -129.25 151.22 50.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.002 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.68 134.85 55.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.592 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.0 p30 46.0 36.73 3.18 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.394 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.581 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 76.8 p -80.18 -166.47 1.05 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.844 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.36 114.15 18.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.008 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.542 HD13 ' HE1' ' A' 1582 ' ' PHE . 1.7 pp -129.51 161.15 39.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.51 . . . . 0.0 111.939 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.4 m -127.91 130.21 48.12 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.542 ' HE1' HD13 ' A' 1580 ' ' ILE . 51.7 m-85 -112.94 116.7 30.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.502 HG23 ' HA ' ' A' 1620 ' ' PRO . 6.2 tt -94.04 107.82 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.233 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.695 ' HB2' HD12 ' A' 1621 ' ' LEU . 34.5 ttpt -92.45 153.15 19.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.426 ' N ' ' HG2' ' A' 1584 ' ' LYS . 67.5 mttm -89.39 149.56 22.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.5 p -79.79 -12.72 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 76.2 p -69.77 -32.79 71.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.5 m -56.2 106.57 0.29 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.771 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 9.7 t -87.48 12.65 11.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.469 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -138.33 -40.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -65.01 110.11 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.153 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -142.92 101.74 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.89 166.92 18.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 93.9 t -130.34 132.0 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.418 ' HB2' HD12 ' A' 1550 ' ' ILE . 40.1 ttpt -72.26 131.56 42.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 76.4 52.05 6.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.531 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 40.3 ttm180 -155.59 149.31 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.619 ' HG2' HD11 ' A' 1564 ' ' LEU . 95.1 mt-30 -89.23 141.36 28.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.288 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.531 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 81.9 m-85 -142.82 164.33 30.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 61.6 tp -111.73 122.63 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.256 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.515 HG22 ' HE1' ' A' 1541 ' ' TYR . 74.4 mt -118.12 130.25 73.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 111.721 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.436 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 59.0 mtp -145.38 106.87 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.169 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.904 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -173.99 -178.29 43.8 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.396 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' A' 1538 ' ' GLU . 17.8 tppt? -61.14 161.75 8.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 111.022 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.822 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.1 pt-20 -67.46 -170.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.051 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.535 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -94.56 176.99 6.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' 1607 ' ' LEU . 6.9 mp -109.09 96.54 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.574 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.5 HE21 ' HE2' ' A' 1617 ' ' TYR . 81.8 mt-30 -59.68 113.19 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.684 HD12 ' HD1' ' A' 1615 ' ' PHE . 29.4 pt -137.55 8.22 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 3.4 tmmm? -51.0 111.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -129.32 -35.97 1.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.762 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 17.6 m120 -133.39 -73.87 0.49 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -156.96 -50.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.215 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.1 p -66.57 -12.21 56.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.684 ' HD1' HD12 ' A' 1609 ' ' ILE . 78.1 m-85 -110.04 147.67 33.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.643 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 16.0 ptm180 174.1 -161.85 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.772 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.5 ' HE2' HE21 ' A' 1608 ' ' GLN . 37.3 m-85 -68.6 -76.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.43 HG12 ' HG3' ' A' 1616 ' ' ARG . 17.9 pt 35.58 98.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.435 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.535 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 18.7 m-85 -61.19 119.72 48.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.953 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1620 ' ' PRO . . . . . 0.502 ' HA ' HG23 ' A' 1583 ' ' ILE . 73.6 Cg_endo -74.49 123.66 8.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.505 2.137 . . . . 0.0 112.186 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.695 HD12 ' HB2' ' A' 1584 ' ' LYS . 96.2 mt -89.38 107.79 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.741 ' HA ' ' HB2' ' A' 1514 ' ' CYS . 9.3 p-10 -129.73 -160.99 1.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.4 ' HA ' ' N ' ' A' 1515 ' ' GLY . 78.0 p -76.4 7.63 4.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.696 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.477 ' HB3' ' OD2' ' A' 1622 ' ' ASP . 0.2 OUTLIER -105.2 -31.46 9.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.347 . . . . 0.0 110.636 179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 61.8 m -68.9 109.89 4.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.436 ' HB3' ' HB2' ' A' 1602 ' ' MET . 58.0 t-105 -71.26 114.9 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.4 mt -117.84 133.82 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.623 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -141.4 119.31 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.98 128.07 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.231 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -102.86 102.32 26.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.122 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.713 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 71.6 Cg_exo -48.31 98.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.601 2.201 . . . . 0.0 112.604 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -76.01 -13.04 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.71 134.47 34.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.407 ' HB ' ' CD1' ' A' 1643 ' ' LEU . 4.4 t -166.21 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.093 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 7.5 t -91.26 -7.85 50.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 85.4 m -62.85 -49.67 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 64.0 p -145.99 -67.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 81.5 p -170.89 18.85 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 52.6 t -62.79 94.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -142.98 16.67 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.658 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.39 82.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.585 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.805 ' HB2' ' HG ' ' A' 1521 ' ' LEU . 47.8 t80 -91.2 -45.26 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.426 HD21 ' O ' ' A' 1631 ' ' PRO . 74.9 mt -53.32 -44.85 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.112 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -56.28 -54.79 41.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.946 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.23 -12.47 61.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 0.0 110.365 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 56.1 tp -90.36 -22.17 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.819 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1647 ' ' ASP . . . . . 0.473 ' HA ' ' HB3' ' A' 1650 ' ' ALA . 53.8 m-20 -67.8 -34.81 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.673 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.54 -23.93 53.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.502 ' O ' HG22 ' A' 1653 ' ' ILE . 86.1 t80 -109.54 -23.29 11.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.665 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1650 ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' A' 1647 ' ' ASP . . . -67.71 -33.81 75.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.24 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -101.17 -10.38 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.982 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.56 -69.3 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' 1649 ' ' PHE . 8.8 tp -58.9 -23.51 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 65.8 t80 -75.41 -53.19 9.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 5.7 tt -83.18 -65.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.529 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 13.8 m120 -58.6 -65.93 0.58 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 86.13 -179.0 49.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.853 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.2 p -96.13 127.66 42.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.759 0.314 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -150.24 133.47 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 64.8 mtt 58.87 -171.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.972 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -98.55 111.1 23.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.541 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -78.91 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.348 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' 1591 ' ' ALA . 13.8 t -51.11 107.91 0.21 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.902 0.382 . . . . 0.0 110.318 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 98.69 -45.41 1.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.664 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 51.69 94.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.411 -0.395 . . . . 0.0 111.336 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 26.5 mmt -85.82 132.86 34.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -81.86 162.79 22.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' 1522 ' ' ASP . 15.9 mm-40 -70.32 -178.42 1.7 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.55 130.5 56.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 97.0 mt 58.91 20.2 7.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' 1519 ' ' GLU . 5.6 p-10 -61.35 109.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.774 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 87.4 mt -87.93 99.23 11.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 5.4 t -171.01 -38.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.482 HD12 ' HE ' ' A' 1530 ' ' ARG . 4.9 pt -91.43 133.4 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.2 p -91.99 -177.28 4.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -76.71 -9.22 58.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.5 mt-10 -93.56 -34.65 13.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 33.4 m -61.76 -21.29 64.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.482 ' HE ' HD12 ' A' 1525 ' ' ILE . 56.5 mtt180 -95.57 -37.71 10.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.043 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.529 ' HE2' HD13 ' A' 1653 ' ' ILE . 25.6 tptp -67.38 -39.42 85.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' 1528 ' ' GLU . 50.2 mt-30 -57.02 -17.67 10.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.972 0.415 . . . . 0.0 110.553 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.849 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 87.2 m -90.51 -39.76 12.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.723 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.99 86.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.29 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1535 ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 41.2 t -64.54 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.047 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.849 ' HE3' ' HA ' ' A' 1533 ' ' THR . 10.3 mtmp? -66.23 149.51 97.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.25 -22.0 54.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.487 2.125 . . . . 0.0 112.183 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.88 -26.63 68.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.794 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.639 HG13 HG22 ' A' 1533 ' ' THR . 26.3 mm -101.55 96.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -70.75 -48.63 53.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.608 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.3 p90 -122.1 155.78 34.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.162 0.506 . . . . 0.0 111.415 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.539 ' N ' ' HB3' ' A' 1568 ' ' LYS . . . -145.74 98.7 3.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.918 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.637 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.6 p90 -146.82 176.54 9.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.441 . . . . 0.0 111.646 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.499 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 12.2 ptmm? -118.2 147.48 43.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.051 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.826 HG12 ' HA ' ' A' 1563 ' ' LEU . 8.5 m -140.0 -178.81 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.061 0.458 . . . . 0.0 111.724 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.436 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.7 t -143.21 116.81 9.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.566 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 35.3 mm -60.04 142.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 65.9 p -126.8 -37.22 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.465 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 73.3 m -147.1 154.35 41.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.036 0.446 . . . . 0.0 111.369 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.2 mt -130.54 106.21 12.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.775 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 59.6 m -98.48 145.67 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 10.9 p -140.02 140.71 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.82 -74.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -144.97 -57.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 84.8 t -112.82 -59.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -74.5 122.95 23.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.5 t -98.71 121.57 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.493 ' NZ ' HD12 ' A' 1583 ' ' ILE . 75.5 mmtt -90.61 153.25 20.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.762 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 97.6 m-85 -137.53 103.03 4.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.773 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -82.82 109.8 17.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.53 161.95 31.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.399 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.4 m -108.62 131.15 55.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.826 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.9 tp -70.11 105.66 2.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.212 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.643 ' H ' ' HA ' ' A' 1545 ' ' VAL . 84.0 mt -59.12 -61.39 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 111.246 -179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.606 ' O ' ' HB2' ' A' 1543 ' ' TYR . 9.2 m-20 -151.87 159.76 43.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.723 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.637 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 42.5 mt -112.59 134.88 53.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 120.987 0.422 . . . . 0.0 111.925 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.51 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 44.8 m-85 -113.29 -22.75 10.28 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.539 ' HB3' ' N ' ' A' 1542 ' ' ALA . 20.3 ttmm -144.62 109.64 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.517 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 52.2 m -46.49 143.9 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.067 0.46 . . . . 0.0 111.861 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.846 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -96.77 125.68 8.55 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.452 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -58.05 -25.0 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.563 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -92.3 42.05 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.476 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 76.4 t 60.35 95.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.447 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.846 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -126.21 128.16 46.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.461 ' HB2' ' OG ' ' A' 1578 ' ' SER . 45.4 mt-10 -133.51 153.03 51.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.033 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 61.8 tttm -57.32 123.33 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.638 ' HA ' ' O ' ' A' 1563 ' ' LEU . 21.4 t70 62.05 59.17 1.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.631 ' H ' ' HB3' ' A' 1563 ' ' LEU . 72.6 m -106.57 -179.43 3.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.498 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -103.28 129.49 50.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.591 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.464 HG22 ' CE1' ' A' 1619 ' ' TYR . 9.2 pt -135.72 144.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.403 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 23.2 m -124.08 106.93 10.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.762 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 56.0 m-85 -80.49 128.03 33.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.017 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.81 HG23 ' HA ' ' A' 1620 ' ' PRO . 3.5 tt -111.46 111.0 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.758 ' HB2' HD12 ' A' 1621 ' ' LEU . 1.5 tmmt? -115.26 126.24 54.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.858 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 66.9 mttm -68.2 141.62 55.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.5 p -58.69 -18.16 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.7 p -69.45 -34.84 75.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.736 ' HB2' ' HD3' ' A' 1584 ' ' LYS . 3.7 m -58.92 105.65 0.34 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 91.2 m -84.03 -41.51 17.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.376 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -81.93 19.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.209 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' 1514 ' ' CYS . . . -125.93 113.04 16.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -152.83 100.92 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.81 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' 1593 ' ' LEU . 4.2 mp -92.02 155.24 18.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.428 HG13 ' HD3' ' A' 1597 ' ' ARG . 6.0 p -138.17 137.4 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.465 ' HA ' ' HB ' ' A' 1547 ' ' ILE . 21.6 ptmt -68.05 156.33 37.6 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 89.56 -1.02 81.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.696 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.428 ' HD3' HG13 ' A' 1594 ' ' VAL . 27.5 mtp180 -122.27 165.35 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 111.263 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.427 ' HG3' ' HD2' ' A' 1632 ' ' ARG . 75.7 mt-30 -112.98 145.45 40.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.989 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -139.96 150.64 44.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.916 0.389 . . . . 0.0 111.468 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' 1543 ' ' TYR . 58.6 tp -98.86 131.26 45.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.125 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' 1601 ' ' ILE . 3.7 mp -118.72 132.93 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.075 0.464 . . . . 0.0 111.919 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.518 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 74.4 mtp -147.55 111.24 5.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.127 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.572 ' N ' HG23 ' A' 1539 ' ' ILE . . . 177.44 -171.71 44.45 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 119.772 -1.204 . . . . 0.0 113.781 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -51.6 156.73 1.26 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.862 0.363 . . . . 0.0 111.383 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.516 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.0 pt-20 -65.39 162.69 17.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.848 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.499 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -64.81 148.21 51.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.6 -173.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.689 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.547 ' HG2' ' H ' ' A' 1609 ' ' ILE . 21.3 tt0 -131.45 171.62 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.783 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.578 ' O ' HG12 ' A' 1609 ' ' ILE . 0.2 OUTLIER 39.79 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.501 179.497 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.56 ' HB2' ' O ' ' A' 1616 ' ' ARG . 13.3 tmtt? -83.42 -81.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.574 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 78.2 t80 -177.45 -34.28 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.809 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 7.1 t30 -58.72 124.72 20.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 62.31 -81.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.236 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 46.8 t -141.92 -26.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.778 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1615 ' ' PHE . . . . . . . . . . . . . 49.2 p90 -172.98 157.88 3.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' 1610 ' ' LYS . 6.9 tpm_? -162.5 108.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.788 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.527 ' CE1' ' HG3' ' A' 1608 ' ' GLN . 2.6 m-85 -59.44 108.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.483 HD13 ' HG2' ' A' 1610 ' ' LYS . 36.1 pt -117.7 161.34 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.225 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 13.8 m-85 -110.9 109.54 57.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1620 ' ' PRO . . . . . 0.81 ' HA ' HG23 ' A' 1583 ' ' ILE . 65.1 Cg_endo -72.35 178.94 5.52 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' 1584 ' ' LYS . 96.3 mt -143.34 97.79 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.774 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.833 ' HB2' HD12 ' A' 1624 ' ' LEU . 12.0 m-20 -120.87 -162.86 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.6 p -80.69 3.71 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.673 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.833 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -103.55 -11.87 17.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.63 ' N ' HD13 ' A' 1624 ' ' LEU . 68.6 m -85.94 134.18 33.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.518 ' HB3' ' HB2' ' A' 1602 ' ' MET . 68.4 t-105 -98.56 113.99 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.799 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.654 HD11 HD22 ' A' 1621 ' ' LEU . 70.4 mt -122.29 111.6 31.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.01 115.4 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.564 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.466 ' O ' ' HD3' ' A' 1631 ' ' PRO . 91.1 t80 -53.63 136.56 38.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.182 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -102.3 100.67 16.21 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.283 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.526 ' HB2' HD11 ' A' 1643 ' ' LEU . 77.6 Cg_exo -48.27 121.68 6.5 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.687 2.258 . . . . 0.0 112.427 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.427 ' HD2' ' HG3' ' A' 1598 ' ' GLN . 80.2 mtp180 -95.44 21.86 7.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.172 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -124.55 131.29 53.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 111.214 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.497 HG22 HD12 ' A' 1643 ' ' LEU . 69.8 p -138.36 6.79 2.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.937 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 71.9 p -58.22 -57.65 11.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.248 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.551 ' HB2' ' HB2' ' A' 1639 ' ' CYS . 82.5 m -70.94 142.06 51.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 79.9 p -62.96 -36.34 83.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 51.3 m -81.69 -5.54 58.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.551 ' HB2' ' HB2' ' A' 1636 ' ' CYS . 42.7 t -93.75 4.62 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.432 ' OE1' ' HB ' ' A' 1634 ' ' THR . 28.8 mt-30 -115.26 -1.83 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -64.42 -22.31 66.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.028 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 68.7 t80 -98.08 -30.45 12.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' 1631 ' ' PRO . 92.7 mt -88.93 8.8 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -90.62 -28.98 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.634 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -82.18 -34.44 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.537 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.435 HD12 HD23 ' A' 1643 ' ' LEU . 96.8 mt -62.8 -32.05 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.43 -44.78 95.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.465 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.63 -38.82 80.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.498 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.435 ' O ' HG22 ' A' 1653 ' ' ILE . 85.4 t80 -63.7 -29.41 70.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.655 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.22 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -70.07 -15.99 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.115 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.559 ' CG ' HD22 ' A' 1656 ' ' ASN . 11.9 t70 -65.11 -71.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.796 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.554 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 4.9 tp -60.05 -30.67 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.12 -34.59 78.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.6 tt -109.36 -77.42 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.018 0.437 . . . . 0.0 110.967 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.559 HD22 ' CG ' ' A' 1652 ' ' ASP . 4.8 p-10 -81.48 37.75 0.47 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.322 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.554 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -56.27 118.1 10.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.573 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1658 ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 42.7 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 46.3 t -143.79 -7.1 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -94.99 114.77 26.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.0 tpt -122.31 -29.34 4.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 67.5 -0.67 1.81 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.415 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.728 ' HB2' ' HG2' ' A' 1516 ' ' GLN . 3.9 p-10 -174.14 84.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.111 0.481 . . . . 0.0 111.029 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.778 ' H ' ' H ' ' A' 1589 ' ' THR . 3.9 m -81.47 -18.04 46.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.007 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.447 ' H ' ' HA ' ' A' 1589 ' ' THR . . . -124.37 -42.83 0.34 Allowed Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.388 -0.824 . . . . 0.0 113.202 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.922 ' H ' ' HA ' ' A' 1589 ' ' THR . 47.7 mt-30 66.72 153.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.915 0.388 . . . . 0.0 111.095 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 9.2 mmt -73.21 -176.72 2.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.034 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -108.25 170.54 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.63 132.21 51.59 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.98 116.1 28.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 93.0 mt 59.48 97.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 9.9 t70 -160.34 112.2 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.683 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.05 99.69 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1524 ' ' THR . . . . . 0.479 HG23 HG13 ' A' 1525 ' ' ILE . 9.0 t -175.07 -29.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.009 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.479 HG13 HG23 ' A' 1524 ' ' THR . 59.6 mt -89.05 106.5 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.03 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 50.7 m -76.35 -178.92 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.71 -26.21 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.2 mt-10 -94.09 -22.62 18.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.5 m -57.69 -59.87 4.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.601 HH12 ' HG2' ' A' 1628 ' ' GLU . 16.5 ptp180 -71.19 -24.43 62.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.586 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 23.9 tptm -63.73 -24.83 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.785 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.5 mm-40 -55.49 -24.8 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.297 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.687 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 94.8 m -83.14 -41.35 18.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.809 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.586 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -69.66 -15.09 63.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 1.7 m -87.29 -19.7 27.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.687 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.0 mtmt -63.43 145.27 97.3 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.29 -1.49 9.72 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.612 2.208 . . . . 0.0 112.381 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' 1604 ' ' LYS . 11.4 pt-20 -87.35 -36.98 17.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.645 HD12 ' HA2' ' A' 1603 ' ' GLY . 43.6 mm -78.85 124.36 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -92.81 -64.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.593 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.46 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 2.1 p90 -100.08 163.48 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.294 0.569 . . . . 0.0 112.044 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.83 97.6 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.725 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.559 ' HA ' ' HD1' ' A' 1567 ' ' TYR . 7.1 p90 -142.08 178.71 7.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.064 0.459 . . . . 0.0 111.751 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -124.18 124.84 43.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.163 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.778 HG12 ' HA ' ' A' 1563 ' ' LEU . 8.9 m -119.27 -174.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.0 0.429 . . . . 0.0 111.729 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.451 ' CB ' HD11 ' A' 1564 ' ' LEU . 16.1 t -144.84 125.95 14.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.558 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.499 HG13 ' HB3' ' A' 1593 ' ' LEU . 42.4 mm -64.38 148.29 11.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 73.6 p -135.31 -50.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.56 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.815 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 33.6 t -127.85 165.55 19.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.989 0.423 . . . . 0.0 111.329 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.8 mt -132.24 131.44 60.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 68.4 m -119.61 126.81 52.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.301 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.677 HG23 HG22 ' A' 1557 ' ' VAL . 9.6 p -139.33 138.86 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.33 -71.23 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.003 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1554 ' ' ASN . . . . . 0.421 ' OD1' HG23 ' A' 1555 ' ' VAL . 5.4 p30 -149.6 -52.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.421 HG23 ' OD1' ' A' 1554 ' ' ASN . 91.4 t -118.05 -55.38 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -77.07 113.46 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.677 HG22 HG23 ' A' 1552 ' ' VAL . 59.4 t -108.98 110.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.539 ' HG3' ' HB ' ' A' 1583 ' ' ILE . 3.8 mppt? -97.59 166.27 11.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -140.52 122.18 15.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.815 ' HB3' ' HB3' ' A' 1549 ' ' SER . 16.4 tppt? -84.8 135.35 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -159.17 163.98 35.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 111.389 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.7 m -117.06 131.99 56.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.957 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.778 ' HA ' HG12 ' A' 1545 ' ' VAL . 14.6 tp -69.54 136.75 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' 1563 ' ' LEU . 9.9 mp -93.44 -51.33 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.648 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.526 ' O ' HD11 ' A' 1563 ' ' LEU . 8.5 m-20 -148.67 153.56 38.44 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.537 HD13 ' HB3' ' A' 1543 ' ' TYR . 9.9 mm -105.98 117.73 52.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.581 ' HB3' HG21 ' A' 1653 ' ' ILE . 55.0 m-85 -97.94 -19.63 17.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.308 0.575 . . . . 0.0 109.706 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.446 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 9.7 tmtt? -155.03 109.92 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.389 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 30.0 m -44.35 142.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.156 0.503 . . . . 0.0 112.034 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.737 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -106.18 148.91 16.55 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.291 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 13.7 mm-40 -75.05 -0.3 18.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.403 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -114.35 67.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.833 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' 1573 ' ' VAL . 8.0 p 39.42 41.43 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.654 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.737 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -74.48 129.34 37.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.974 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.589 ' O ' HD23 ' A' 1563 ' ' LEU . 9.8 tp10 -151.1 147.06 26.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.546 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -55.39 131.85 46.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.643 ' HA ' ' O ' ' A' 1563 ' ' LEU . 15.3 t70 65.53 34.76 7.67 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.421 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.544 ' OG ' ' HB3' ' A' 1575 ' ' GLU . 34.1 m -92.61 -176.5 4.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.483 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.68 137.14 37.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.63 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.403 ' CG1' ' N ' ' A' 1581 ' ' THR . 0.9 OUTLIER -143.33 153.75 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.164 0.507 . . . . 0.0 111.411 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1581 ' ' THR . . . . . 0.403 ' N ' ' CG1' ' A' 1580 ' ' ILE . 61.5 m -152.74 118.61 5.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.924 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.421 ' HZ ' HG13 ' A' 1601 ' ' ILE . 89.8 m-85 -80.59 167.41 20.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.638 HG23 ' HA ' ' A' 1620 ' ' PRO . 5.0 tt -158.11 117.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.795 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.74 ' HE3' ' HA ' ' A' 1586 ' ' VAL . 39.3 ttpt -120.9 153.72 36.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.219 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.476 ' O ' HG12 ' A' 1586 ' ' VAL . 97.3 mttt -92.97 20.57 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.507 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.74 ' HA ' ' HE3' ' A' 1584 ' ' LYS . 6.7 p 44.14 24.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.764 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 63.8 p -139.07 -3.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.338 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 1.2 m -133.53 141.71 47.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.959 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1589 ' ' THR . . . . . 0.922 ' HA ' ' H ' ' A' 1516 ' ' GLN . 73.8 m 50.34 93.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.614 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.708 ' HB2' ' HB3' ' A' 1513 ' ' ASP . 26.8 t30 -61.92 85.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.282 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.634 ' HB3' HD21 ' A' 1621 ' ' LEU . . . -113.92 137.19 52.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.42 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -127.7 98.24 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.564 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.499 ' HB3' HG13 ' A' 1547 ' ' ILE . 85.0 mt -84.28 122.84 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 61.9 t -107.04 126.21 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 21.8 pttp -62.99 135.56 57.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 102.9 -18.52 49.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.628 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.5 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 91.2 mtt180 -99.65 169.96 8.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.004 0.431 . . . . 0.0 111.401 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -116.53 143.16 45.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.718 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -139.9 152.79 46.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.907 0.384 . . . . 0.0 111.214 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 61.3 tp -94.56 135.1 36.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.257 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.421 HG13 ' HZ ' ' A' 1582 ' ' PHE . 49.5 mm -128.89 124.87 61.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.961 0.41 . . . . 0.0 111.886 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1602 ' ' MET . . . . . . . . . . . . . 31.8 mtm -141.38 117.98 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.109 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.645 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -170.72 177.12 43.97 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.272 -0.966 . . . . 0.0 113.142 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.463 ' C ' ' HD2' ' A' 1604 ' ' LYS . 0.0 OUTLIER -59.37 177.22 0.2 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.863 0.364 . . . . 0.0 111.489 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.471 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.3 pt-20 -60.15 173.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.432 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -103.18 155.84 18.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.244 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' 1617 ' ' TYR . 4.1 mm? -65.35 113.75 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.509 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 45.5 mt-30 -81.9 30.24 0.38 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.443 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.479 ' C ' HD13 ' A' 1609 ' ' ILE . 0.0 OUTLIER -175.24 113.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.062 0.458 . . . . 0.0 111.22 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.692 ' HD3' HD11 ' A' 1618 ' ' ILE . 23.5 tptm -101.58 -23.95 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.67 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1611 ' ' TYR . . . . . 0.546 ' HD2' ' H ' ' A' 1613 ' ' ALA . 66.7 t80 -161.17 -90.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1612 ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' 1611 ' ' TYR . 6.9 t30 177.14 -30.69 0.0 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1613 ' ' ALA . . . . . 0.546 ' H ' ' HD2' ' A' 1611 ' ' TYR . . . -52.72 -30.82 34.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.461 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1614 ' ' SER . . . . . 0.426 ' H ' ' H ' ' A' 1615 ' ' PHE . 80.5 p -171.16 1.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.095 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.426 ' H ' ' H ' ' A' 1614 ' ' SER . 59.7 m-85 61.45 171.81 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.631 ' HG2' HG23 ' A' 1618 ' ' ILE . 55.7 ttt180 -164.79 128.07 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.493 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.582 ' HA ' ' O ' ' A' 1607 ' ' LEU . 1.9 m-30 -96.22 31.84 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.558 -179.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.692 HD11 ' HD3' ' A' 1610 ' ' LYS . 5.6 pt -56.82 145.05 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 111.145 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 20.3 m-85 -97.75 125.89 42.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.719 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1620 ' ' PRO . . . . . 0.638 ' HA ' HG23 ' A' 1583 ' ' ILE . 28.3 Cg_endo -62.24 -168.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.571 2.18 . . . . 0.0 112.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.67 HD23 ' HD3' ' A' 1584 ' ' LYS . 16.4 tp -153.48 40.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -92.66 -172.38 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.465 ' HB2' ' C ' ' A' 1514 ' ' CYS . 48.2 t -69.98 77.09 0.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.216 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 62.8 tp -175.24 -26.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.359 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 46.5 m -78.81 101.41 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.154 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -66.88 112.77 4.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' 1600 ' ' LEU . 57.7 mt -119.83 135.03 61.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.676 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 10.4 tp10 -132.35 111.94 11.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.5 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 24.6 t80 -57.17 114.73 2.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -100.42 103.36 23.08 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.094 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.514 ' HB2' HD21 ' A' 1643 ' ' LEU . 80.4 Cg_exo -45.29 102.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.674 2.249 . . . . 0.0 112.59 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' 1632 ' ' ARG . 4.4 tmt_? -53.66 -42.17 67.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1633 ' ' ASP . . . . . 0.517 ' HB3' ' HB2' ' A' 1636 ' ' CYS . 9.6 m-20 -89.27 110.7 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.756 HG22 HD13 ' A' 1643 ' ' LEU . 63.8 p -95.44 -48.0 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 72.2 p -85.91 20.43 2.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.19 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' 1633 ' ' ASP . 51.5 t -55.65 -46.48 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 72.7 p -164.81 -63.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.4 p -167.01 25.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 83.7 m -82.31 26.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.602 ' HA ' HD12 ' A' 1643 ' ' LEU . 28.2 mt-30 -89.57 2.44 54.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.33 94.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.967 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -84.93 -23.01 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.532 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.756 HD13 HG22 ' A' 1634 ' ' THR . 47.8 mt -73.89 -11.73 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -80.45 -32.99 37.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.021 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.05 -25.31 55.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 85.8 mt -74.87 -31.34 61.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.5 -30.89 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.5 -47.65 69.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.765 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.435 ' O ' HG22 ' A' 1653 ' ' ILE . 81.6 t80 -55.55 -28.25 53.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.787 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.46 92.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -87.33 -7.24 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.023 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.59 -71.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.042 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.581 HG21 ' HB3' ' A' 1567 ' ' TYR . 8.9 tp -53.98 -25.66 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.189 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 76.8 t80 -78.84 -57.13 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.443 ' C ' HD13 ' A' 1655 ' ' LEU . 3.2 tm? -84.01 -65.84 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 17.1 m120 -58.18 -74.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.217 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 87.36 -168.17 38.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.413 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.888 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 53.4 m -92.88 138.46 31.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 46.3 t60 -96.65 128.52 43.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.779 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 52.2 ttm -108.28 120.13 41.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.003 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -133.39 141.25 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -66.07 -33.64 76.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.201 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' 1516 ' ' GLN . 7.4 t 60.13 -152.63 0.39 Allowed 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.48 ' O ' ' HG2' ' A' 1517 ' ' MET . . . -55.8 83.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.774 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' 1514 ' ' CYS . 95.8 mt-30 -47.74 -25.21 1.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.368 0.267 . . . . 0.0 111.541 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' 1515 ' ' GLY . 22.8 mmt 59.05 -174.23 0.1 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.077 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1518 ' ' GLN . . . . . 0.427 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 11.8 pt20 -151.56 173.36 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.9 144.33 53.19 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.992 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.43 -16.77 64.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 68.5 mt -149.7 102.46 3.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.487 ' OD1' HG13 ' A' 1525 ' ' ILE . 11.2 t70 -129.47 122.63 29.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.672 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 42.2 mt -109.57 14.14 23.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.028 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 70.0 p -92.45 -20.06 21.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.487 HG13 ' OD1' ' A' 1522 ' ' ASP . 85.6 mt -83.87 138.18 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 43.9 t -85.67 169.45 13.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -75.8 -16.22 60.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -93.32 -19.64 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.2 m -74.41 -30.02 61.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.598 HH12 ' HA ' ' A' 1646 ' ' LEU . 4.7 ptm180 -95.08 -12.99 25.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.536 ' HD3' ' O ' ' A' 1531 ' ' LYS . 1.2 tmtp? -97.05 -33.36 11.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.806 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -59.64 -16.73 28.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.974 0.416 . . . . 0.0 110.476 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.697 HG22 HG13 ' A' 1539 ' ' ILE . 48.4 m -91.34 -23.27 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.55 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.07 91.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.14 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 48.9 t -85.25 0.55 51.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.982 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.487 ' HE3' ' HA ' ' A' 1533 ' ' THR . 40.6 ttmt -61.82 133.73 93.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1537 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 51.5 Cg_exo -54.48 -43.25 60.53 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.583 2.188 . . . . 0.0 112.214 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.687 ' HG3' ' HE3' ' A' 1604 ' ' LYS . 35.3 tt0 -61.0 -27.67 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.75 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.697 HG13 HG22 ' A' 1533 ' ' THR . 37.2 mm -93.52 110.52 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.037 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -74.47 -64.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.415 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.884 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.1 p90 -105.32 156.62 17.98 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.163 0.506 . . . . 0.0 111.74 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.12 97.67 3.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.326 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.761 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 11.6 p90 -153.78 173.66 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 111.858 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.672 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 21.3 pttp -110.81 150.75 28.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.894 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.848 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.7 m -141.46 -175.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.906 0.384 . . . . 0.0 111.599 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.416 ' HB3' HD11 ' A' 1564 ' ' LEU . 78.9 p -145.98 114.91 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.982 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.507 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.3 mm -56.09 144.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.698 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1548 ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' 1561 ' ' ALA . 4.8 t -138.14 -8.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.625 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.868 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 36.8 t -165.24 157.09 15.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.985 0.421 . . . . 0.0 111.426 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.6 mt -137.78 133.86 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.671 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1551 ' ' THR . . . . . 0.749 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 97.3 m -121.67 133.54 54.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 111.484 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 37.3 t -127.64 122.25 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.407 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.45 -86.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.273 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -134.36 -79.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.32 . . . . 0.0 111.218 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 86.8 t -93.75 -42.49 13.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -94.41 144.4 25.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.1 t -117.42 119.14 60.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.749 ' HB2' ' HB ' ' A' 1551 ' ' THR . 3.9 mptp? -85.73 158.11 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -144.48 119.11 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.868 ' HB2' ' HB3' ' A' 1549 ' ' SER . 35.3 mmtp -100.03 121.07 40.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.396 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.619 ' HA ' HG22 ' A' 1548 ' ' THR . . . -138.58 164.29 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.012 0.434 . . . . 0.0 111.673 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -112.92 131.11 55.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.735 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.848 ' HA ' HG12 ' A' 1545 ' ' VAL . 1.8 tt -66.38 134.24 52.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.672 ' HB2' ' HG3' ' A' 1544 ' ' LYS . 74.1 mt -90.12 -49.78 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.712 0.292 . . . . 0.0 110.824 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.8 t70 -166.98 138.46 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.761 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 65.6 mt -95.24 132.33 39.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.144 0.497 . . . . 0.0 112.063 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' 1542 ' ' ALA . 28.5 m-85 -107.33 -18.34 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.196 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.5 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 87.0 tttt -154.27 117.44 4.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.735 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1569 ' ' THR . . . . . 0.61 HG22 ' H ' ' A' 1571 ' ' GLU . 12.2 m -46.81 153.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.066 0.46 . . . . 0.0 111.616 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.884 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -84.98 -3.02 88.13 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.998 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.61 ' H ' HG22 ' A' 1569 ' ' THR . 37.2 tt0 59.55 10.24 1.84 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.14 0.495 . . . . 0.0 110.628 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -131.93 -77.21 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.335 0.588 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' 1573 ' ' VAL . 9.3 p -151.7 37.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.014 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.793 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -83.12 116.36 22.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.919 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.422 ' O ' HD13 ' A' 1563 ' ' LEU . 45.7 mt-10 -129.83 137.01 50.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.663 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -51.93 122.46 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.697 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.0 t70 66.17 42.38 3.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 46.4 p -90.15 -168.0 2.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.562 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -111.88 104.88 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.526 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.667 HD12 ' HE1' ' A' 1582 ' ' PHE . 28.9 pt -100.96 148.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.52 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.5 m -140.32 100.42 3.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.653 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.667 ' HE1' HD12 ' A' 1580 ' ' ILE . 60.2 m-85 -94.33 136.2 34.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.309 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.689 HG22 ' HG3' ' A' 1558 ' ' LYS . 44.7 pt -123.95 146.15 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.891 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.788 ' HB3' HD23 ' A' 1621 ' ' LEU . 58.3 pttt -139.46 -169.69 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.504 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -101.72 -174.84 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.821 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.0 p -85.58 -29.12 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.3 p -82.3 6.64 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.99 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.54 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 25.7 t -90.93 31.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.682 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 7.3 t -54.98 -25.54 30.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.446 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 22.0 m120 -59.61 -55.62 32.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.914 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.436 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -67.57 102.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.731 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -107.17 146.26 31.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.192 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.6 mt -134.15 168.83 18.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.73 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.494 ' HB ' ' HB2' ' A' 1597 ' ' ARG . 49.0 t -133.29 130.89 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -68.72 107.28 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.688 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 106.03 6.99 36.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.323 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.662 ' HA ' ' HE ' ' A' 1597 ' ' ARG . 2.5 tpm_? -100.96 158.95 15.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.72 0.295 . . . . 0.0 110.653 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' 1597 ' ' ARG . 96.2 mt-30 -103.09 133.16 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -140.03 144.4 36.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.591 HD22 HH21 ' A' 1530 ' ' ARG . 61.2 tp -89.34 122.55 32.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.3 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.501 HG22 ' HE1' ' A' 1541 ' ' TYR . 77.3 mt -115.54 127.3 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.096 0.474 . . . . 0.0 111.549 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.497 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 60.1 mtp -144.52 118.27 9.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.194 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.581 ' N ' HG23 ' A' 1539 ' ' ILE . . . 174.57 -162.16 32.2 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.068 -1.063 . . . . 0.0 113.547 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.687 ' HE3' ' HG3' ' A' 1538 ' ' GLU . 35.0 mmtp -49.58 148.61 2.78 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.75 0.31 . . . . 0.0 111.317 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.41 -174.49 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.191 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -76.61 153.32 35.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.447 HD12 HG13 ' A' 1618 ' ' ILE . 93.2 mt -67.89 -170.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.791 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.468 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 54.7 mt-30 -151.16 93.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.272 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' 1616 ' ' ARG . 1.4 mm -84.97 -40.08 14.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.181 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.814 ' HA ' ' H ' ' A' 1615 ' ' PHE . 0.1 OUTLIER 42.5 -173.21 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.312 179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -169.75 -54.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.291 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -133.31 -16.79 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.103 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -168.96 -38.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.505 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.1 p -175.33 112.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.621 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.814 ' H ' ' HA ' ' A' 1610 ' ' LYS . 76.3 t80 -96.65 -80.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.95 0.405 . . . . 0.0 111.012 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.56 ' O ' HG12 ' A' 1609 ' ' ILE . 30.8 tpt180 -144.78 146.59 32.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.316 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.468 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 16.5 m-85 -121.56 70.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.407 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.447 HG13 HD12 ' A' 1607 ' ' LEU . 37.5 pt -66.73 -178.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.279 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.483 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 68.4 m-85 -128.62 134.84 26.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.991 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.87 171.81 16.68 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.588 2.192 . . . . 0.0 112.29 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.788 HD23 ' HB3' ' A' 1584 ' ' LYS . 52.1 tp -150.63 104.59 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.788 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 10.6 m-20 -137.7 -160.14 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 47.9 t -74.71 -34.77 62.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.558 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.498 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.8 pt? -67.11 -15.58 63.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.28 . . . . 0.0 110.964 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 55.6 m -71.23 112.81 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.497 ' HB3' ' HB2' ' A' 1602 ' ' MET . 50.1 t-105 -74.98 109.77 8.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' A' 1600 ' ' LEU . 62.9 mt -123.92 123.2 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -125.84 149.19 48.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.031 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.496 ' O ' ' HD3' ' A' 1631 ' ' PRO . 38.8 t80 -80.71 130.07 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.402 ' CZ2' HD23 ' A' 1646 ' ' LEU . 4.7 t-105 -108.88 92.13 10.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.471 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.8 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.4 Cg_exo -53.76 102.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.589 2.193 . . . . 0.0 112.408 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -74.71 -23.27 58.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.695 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -89.03 137.16 32.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 65.8 p -141.39 8.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 80.2 p -101.2 11.07 40.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.263 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 44.3 t -105.77 158.02 17.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 46.4 t -61.88 123.23 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 83.8 p 47.64 72.02 0.29 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.293 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 78.1 m -148.58 -17.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.779 ' HA ' HD23 ' A' 1643 ' ' LEU . 19.5 pm0 -96.46 -0.14 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -66.16 -26.44 67.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.573 ' O ' HD13 ' A' 1646 ' ' LEU . 56.2 t80 -76.22 -31.39 58.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.809 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.8 HD21 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -74.15 -0.45 16.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.13 -54.78 4.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.7 p30 -62.7 -15.61 53.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.698 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.598 ' HA ' HH12 ' A' 1530 ' ' ARG . 8.6 mp -77.02 -32.16 56.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.609 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.96 -39.04 93.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1648 ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' 1652 ' ' ASP . 1.3 mp0 -74.52 -1.1 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 47.9 t80 -103.44 -30.77 10.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.803 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1650 ' ' ALA . . . . . 0.627 ' O ' HG22 ' A' 1653 ' ' ILE . . . -59.41 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.31 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1651 ' ' GLU . . . . . 0.627 ' HA ' ' HD2' ' A' 1654 ' ' PHE . 28.7 tt0 -60.75 -4.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.312 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' 1648 ' ' GLU . 22.6 t70 -74.47 -6.78 50.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.454 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' 1650 ' ' ALA . 6.6 tt -114.33 -42.34 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1654 ' ' PHE . . . . . 0.627 ' HD2' ' HA ' ' A' 1651 ' ' GLU . 9.5 m-85 -68.18 -44.8 75.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.937 0.399 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.432 ' HB2' ' HG2' ' A' 1651 ' ' GLU . 1.4 tp -75.89 -46.1 31.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.026 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' 1652 ' ' ASP . 19.2 m120 -75.3 -72.1 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.88 108.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.883 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.7 t -141.56 140.47 33.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 16.6 p80 -97.59 149.34 22.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 55.9 ttp -91.25 156.52 17.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.789 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -113.37 174.05 6.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -97.22 39.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.628 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 35.2 t -50.17 110.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.801 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.482 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 80.24 38.91 16.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.105 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.408 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 53.5 tt0 -51.93 103.4 0.06 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.837 0.351 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 25.2 mmt -71.63 151.67 43.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1518 ' ' GLN . . . . . 0.503 ' HG3' ' HG2' ' A' 1628 ' ' GLU . 86.0 mm-40 -79.92 167.89 19.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.612 ' HB2' ' HB3' ' A' 1522 ' ' ASP . 45.8 mt-10 -66.65 171.33 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -103.02 128.04 50.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' 1642 ' ' PHE . 76.0 mt 57.73 21.98 7.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.612 ' HB3' ' HB2' ' A' 1519 ' ' GLU . 5.4 p-10 -57.97 104.99 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.737 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 67.5 mt -91.13 97.33 11.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1524 ' ' THR . . . . . 0.472 HG23 HG13 ' A' 1525 ' ' ILE . 6.9 t -172.97 -24.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.472 HG13 HG23 ' A' 1524 ' ' THR . 60.0 mt -94.67 122.15 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 85.8 p -86.49 -175.75 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.795 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -81.93 0.45 39.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -119.56 -12.57 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 86.7 m -84.37 -36.27 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.451 ' HB3' HG21 ' A' 1525 ' ' ILE . 5.5 ptp180 -86.94 -24.61 24.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.021 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.614 ' HE3' HD13 ' A' 1653 ' ' ILE . 88.1 tttt -68.64 -22.48 64.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -55.6 -22.06 20.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.03 0.443 . . . . 0.0 110.326 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.742 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 48.2 m -91.03 -30.11 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.516 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.68 71.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 32.8 t -102.98 5.19 38.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.755 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.742 ' HE3' ' HA ' ' A' 1533 ' ' THR . 38.0 ttmt -61.18 137.48 94.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.739 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.22 -52.56 8.53 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.676 2.251 . . . . 0.0 112.865 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.436 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.7 pt-20 -59.6 -28.62 67.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.055 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.614 HD12 ' HA2' ' A' 1603 ' ' GLY . 45.3 mm -84.71 144.36 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.424 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -114.82 -67.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.694 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.933 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.0 p90 -93.13 157.82 16.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.29 0.567 . . . . 0.0 112.186 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.84 99.95 2.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.468 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.673 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.5 OUTLIER -152.38 179.46 8.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.046 0.451 . . . . 0.0 112.089 -178.723 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.649 ' NZ ' ' HB3' ' A' 1564 ' ' LEU . 22.8 pttp -115.97 141.23 48.39 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.751 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.925 HG12 ' HA ' ' A' 1563 ' ' LEU . 10.6 m -138.88 177.14 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.293 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.463 ' CB ' HD11 ' A' 1564 ' ' LEU . 18.2 t -146.1 129.91 17.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.633 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.2 mm -67.52 131.0 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.788 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1548 ' ' THR . . . . . 0.477 ' O ' ' HE2' ' A' 1595 ' ' LYS . 5.4 t -132.95 -10.66 3.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.548 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.871 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 56.3 m -150.11 138.71 20.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.3 mt -135.46 117.65 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 93.2 m -103.53 103.38 13.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.269 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.2 p -105.69 126.79 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.72 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -114.82 -67.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -166.33 -62.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.502 HG12 HG11 ' A' 1586 ' ' VAL . 4.9 m -107.57 -49.21 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.42 ' N ' HG23 ' A' 1555 ' ' VAL . 10.5 m-85 -95.43 113.21 24.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.657 HG13 ' HB3' ' A' 1584 ' ' LYS . 7.1 p -114.6 140.39 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.738 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 31.1 mttp -120.39 159.92 24.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.094 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.606 ' HE1' ' HE2' ' A' 1584 ' ' LYS . 89.8 m-85 -134.6 109.1 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.871 ' HB2' ' HB2' ' A' 1549 ' ' SER . 3.2 mmmp? -88.27 98.77 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.226 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -105.76 169.68 8.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 111.663 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 7.2 m -115.59 129.68 56.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.997 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.925 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.9 tp -73.2 95.27 2.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.649 ' HB3' ' NZ ' ' A' 1544 ' ' LYS . 9.0 mp -49.81 -50.88 43.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.578 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.615 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.6 t70 -166.25 152.52 9.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.795 HG12 HD21 ' A' 1563 ' ' LEU . 55.0 mt -99.5 123.08 52.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.942 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.552 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 84.0 m-85 -99.87 -20.73 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.449 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 2.7 tmtp? -154.66 123.13 6.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.303 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1569 ' ' THR . . . . . 0.488 HG22 ' H ' ' A' 1571 ' ' GLU . 4.6 m -46.11 155.73 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.202 0.525 . . . . 0.0 111.897 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.933 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -93.2 0.69 69.11 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.014 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.488 ' H ' HG22 ' A' 1569 ' ' THR . 44.2 mt-10 58.04 8.54 0.77 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.035 0.445 . . . . 0.0 110.7 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -152.38 71.22 0.94 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.224 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 94.1 t 56.33 80.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.412 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.559 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -108.9 125.06 51.61 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.09 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' 1563 ' ' LEU . 41.0 mt-10 -135.06 146.35 48.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.915 0.388 . . . . 0.0 111.352 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.63 144.21 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.043 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.619 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.4 p30 46.93 32.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 61.2 p -70.61 -165.97 0.13 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -120.13 136.02 54.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.421 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.612 HD12 ' HE1' ' A' 1582 ' ' PHE . 20.8 pt -139.23 145.09 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 111.723 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 16.3 m -125.48 138.06 53.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.647 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.612 ' HE1' HD12 ' A' 1580 ' ' ILE . 48.5 m-85 -123.91 120.48 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.337 0.589 . . . . 0.0 111.504 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1583 ' ' ILE . . . . . . . . . . . . . 15.6 mm -89.31 152.49 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.723 ' HB2' HD12 ' A' 1621 ' ' LEU . 10.9 ttmm -146.45 146.42 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' A' 1584 ' ' LYS . 30.7 mmtp -100.2 179.19 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.705 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.502 HG11 HG12 ' A' 1555 ' ' VAL . 22.3 m -74.43 -22.01 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.276 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.6 p -72.55 -37.99 68.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.279 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.628 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.7 m -67.93 86.54 0.24 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.807 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 57.1 m -100.13 -33.17 10.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.408 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 3.0 t-20 -68.99 -20.5 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.662 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.482 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -90.84 126.64 36.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.73 137.1 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.48 HD22 HD11 ' A' 1547 ' ' ILE . 1.8 mp -120.91 169.97 9.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 62.1 t -123.81 140.5 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.477 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.9 tttm -75.61 110.14 9.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 123.92 -35.73 3.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.626 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -74.22 167.63 21.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.06 0.457 . . . . 0.0 111.285 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -112.14 144.37 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.741 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -141.19 142.23 34.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.299 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' 1627 ' ' ILE . 48.4 tp -87.67 133.16 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.072 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1601 ' ' ILE . . . . . . . . . . . . . 70.8 mt -130.85 130.77 64.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.09 0.471 . . . . 0.0 112.063 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.517 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 30.6 mtm -145.21 129.25 17.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.867 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.614 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -179.06 175.31 47.19 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.154 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' 1604 ' ' LYS . 0.0 OUTLIER -52.61 164.96 0.3 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 111.435 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -59.08 154.01 16.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.48 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -60.75 169.08 1.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.529 HD13 HG13 ' A' 1618 ' ' ILE . 7.5 mp -61.86 -177.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -157.7 93.42 1.27 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.399 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.739 HG21 ' HE ' ' A' 1616 ' ' ARG . 11.1 tp -88.86 -29.05 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.327 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.485 ' HB2' ' HA ' ' A' 1615 ' ' PHE . 34.6 mmtp -145.51 -175.94 4.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1611 ' ' TYR . . . . . 0.402 ' O ' ' HB3' ' A' 1615 ' ' PHE . 91.6 m-85 -91.96 -70.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1612 ' ' ASN . . . . . 0.449 ' HA ' ' CD1' ' A' 1615 ' ' PHE . 88.4 m-20 -140.65 -34.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.04 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -55.4 -33.01 63.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.644 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1614 ' ' SER . . . . . 0.484 ' HB2' ' HG3' ' A' 1610 ' ' LYS . 69.3 m -160.57 33.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.362 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.485 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 20.2 p90 -58.63 137.2 57.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.739 ' HE ' HG21 ' A' 1609 ' ' ILE . 82.5 mtm180 -130.24 83.02 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.998 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -79.6 76.77 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.75 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.529 HG13 HD13 ' A' 1607 ' ' LEU . 42.2 pt -89.7 173.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.789 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' A' 1582 ' ' PHE . 50.6 m-85 -128.65 131.06 23.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.424 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.14 179.31 6.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.562 2.175 . . . . 0.0 112.135 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.723 HD12 ' HB2' ' A' 1584 ' ' LYS . 32.7 mt -133.24 23.65 4.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -175.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.1 p -71.83 -20.0 61.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' 1624 ' ' LEU . 3.5 tt -63.52 -49.05 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.56 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.401 ' O ' HG13 ' A' 1627 ' ' ILE . 44.0 m -53.57 101.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.472 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -62.92 105.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.544 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.7 mt -124.09 136.59 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.351 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.503 ' HG2' ' HG3' ' A' 1518 ' ' GLN . 46.9 mt-10 -135.44 155.89 49.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.474 ' O ' ' HD3' ' A' 1631 ' ' PRO . 13.2 t80 -86.35 115.81 24.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.453 ' CD2' HD13 ' A' 1646 ' ' LEU . 3.1 t-105 -98.82 103.31 18.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.131 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.62 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 63.6 Cg_exo -51.07 99.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.455 2.103 . . . . 0.0 112.314 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.99 -24.36 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.01 128.01 55.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.839 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.5 p -93.86 -23.58 18.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 6.8 p 72.15 -37.31 0.39 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.125 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.485 ' HB2' ' O ' ' A' 1639 ' ' CYS . 73.6 m -143.82 177.75 8.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 111.036 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 49.9 m -110.29 -25.53 10.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.697 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 49.0 m -96.12 -26.64 15.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.485 ' O ' ' HB2' ' A' 1636 ' ' CYS . 53.5 t -128.78 127.94 42.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.847 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 31.5 mm-40 -114.53 -108.39 0.37 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.834 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1641 ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' 1640 ' ' GLN . . . 165.91 -75.54 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.62 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 43.9 t80 -108.45 -6.74 16.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.847 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.9 mm? -77.18 -6.23 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.085 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -78.98 -39.39 34.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.289 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -86.05 -7.18 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.586 HD12 HD13 ' A' 1643 ' ' LEU . 94.7 mt -93.65 -30.34 14.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.75 -44.45 64.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.79 -39.03 87.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.494 ' O ' HG22 ' A' 1653 ' ' ILE . 88.7 t80 -65.75 -22.66 66.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -72.18 -59.05 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.369 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.07 -31.99 72.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.398 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.26 -65.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.585 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.614 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.9 tp -61.46 -32.56 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.787 0.327 . . . . 0.0 111.594 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 45.8 t80 -71.55 -36.55 70.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.402 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 95.4 mt -97.66 -69.71 0.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.316 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -59.06 -71.03 0.13 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.106 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.532 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.05 149.11 1.5 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.898 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.3 t -121.2 -7.58 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.701 0.286 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -147.81 115.05 6.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 25.6 ptt? -135.9 -35.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -145.03 142.21 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.789 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' 1514 ' ' CYS . 4.2 p-10 -86.43 -17.57 33.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.403 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' 1513 ' ' ASP . 4.4 p 38.01 -140.8 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' A' 1517 ' ' MET . . . -66.18 75.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.248 -0.977 . . . . 0.0 111.343 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -49.52 126.96 14.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.719 0.295 . . . . 0.0 111.309 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.474 ' HG3' ' O ' ' A' 1515 ' ' GLY . 43.9 mtm -132.16 134.9 45.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.844 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.7 173.84 2.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.876 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 46.6 mt-10 -67.95 -177.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1520 ' ' GLU . . . . . 0.621 ' HA ' ' HB3' ' A' 1629 ' ' TYR . 1.9 mp0 -89.97 -76.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.508 ' O ' ' HG ' ' A' 1523 ' ' LEU . 95.3 mt -85.98 31.45 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.223 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.876 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 19.1 t70 -58.81 106.01 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.784 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' 1521 ' ' LEU . 75.6 mt -104.31 96.04 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.4 t -173.3 -16.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.562 ' HB ' HH21 ' A' 1530 ' ' ARG . 65.3 mt -83.2 137.83 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.8 t -81.71 165.99 20.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -78.7 -17.61 55.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.5 mt-10 -91.99 -50.18 5.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.6 m -57.38 -33.75 68.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.562 HH21 ' HB ' ' A' 1525 ' ' ILE . 41.8 ttm180 -74.64 -26.15 59.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.74 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.5 ' HG3' ' OD1' ' A' 1652 ' ' ASP . 9.0 tmtm? -82.4 -31.08 29.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.77 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.0 mt-30 -57.6 -16.51 10.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.667 ' HA ' ' HB2' ' A' 1536 ' ' LYS . 60.5 m -87.61 -35.61 17.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.793 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.98 -25.83 65.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.9 t -116.89 5.06 12.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.566 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.801 ' HB3' HD13 ' A' 1539 ' ' ILE . 23.4 ttmm -61.97 141.62 95.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.556 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.54 -48.68 19.3 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.681 2.254 . . . . 0.0 113.025 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.596 ' HG3' HD12 ' A' 1539 ' ' ILE . 3.6 pt-20 -67.86 -5.85 18.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.636 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.893 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.4 mp -113.3 129.35 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.743 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -95.53 -63.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.439 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.525 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 6.1 p90 -102.85 159.8 15.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.007 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.503 ' HB3' ' CB ' ' A' 1568 ' ' LYS . . . -149.46 93.62 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.689 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.694 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 1.3 p90 -143.16 -177.92 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.062 0.458 . . . . 0.0 112.023 -178.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 53.2 tttm -120.31 131.51 54.91 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.854 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.7 m -129.88 -175.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.272 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.453 ' CB ' HD21 ' A' 1564 ' ' LEU . 22.9 t -151.56 136.13 17.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.61 HD13 ' HB2' ' A' 1561 ' ' ALA . 40.8 mm -72.73 127.21 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.72 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 67.1 p -118.6 -28.84 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.448 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.679 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 41.7 t -141.52 154.95 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.962 0.411 . . . . 0.0 111.263 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 81.9 mt -143.16 116.28 3.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.8 m -108.06 121.95 45.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 26.0 t -112.53 124.36 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -103.58 -79.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -147.79 -72.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 23.2 t -102.49 -40.48 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.57 117.34 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' 1583 ' ' ILE . 45.1 t -101.65 134.44 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.758 ' HG3' HG22 ' A' 1583 ' ' ILE . 3.7 mptp? -98.95 153.02 19.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.774 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' 1593 ' ' LEU . 94.7 m-85 -140.01 113.26 8.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.006 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.679 ' HB2' ' HB3' ' A' 1549 ' ' SER . 35.2 mmtp -94.39 118.37 31.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.462 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.61 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -130.76 149.09 52.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.988 0.423 . . . . 0.0 111.475 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.8 m -99.27 137.74 37.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.117 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.854 ' HA ' HG12 ' A' 1545 ' ' VAL . 12.7 tp -81.06 101.07 9.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.373 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' 1546 ' ' SER . 4.0 mm? -60.39 -43.23 96.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.505 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' A' 1543 ' ' TYR . 13.0 t70 -166.94 158.66 12.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.171 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.767 HG12 HD21 ' A' 1563 ' ' LEU . 54.4 mt -109.92 131.22 61.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.836 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.694 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 93.0 m-85 -106.41 -16.12 14.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.503 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 10.8 tmtt? -158.25 110.28 2.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.359 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 31.8 m -42.23 146.51 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.231 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.811 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -103.82 136.41 12.95 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.498 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.39 -27.56 67.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.534 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.854 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -86.94 44.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.526 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.7 t 57.33 87.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.104 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.811 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -118.39 124.13 46.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.621 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.472 ' O ' HD23 ' A' 1563 ' ' LEU . 24.7 mm-40 -133.63 150.58 51.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.293 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -53.33 122.14 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.621 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 60.24 66.13 1.0 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.139 0.495 . . . . 0.0 110.691 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.681 ' H ' ' HB3' ' A' 1563 ' ' LEU . 41.9 p -109.54 -167.21 1.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.714 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -124.07 117.18 24.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.559 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.72 HD11 HG11 ' A' 1545 ' ' VAL . 12.1 pt -127.39 141.03 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.483 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 15.8 m -115.38 140.4 49.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.971 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.649 ' HD2' ' HB2' ' A' 1621 ' ' LEU . 51.3 m-85 -127.16 121.84 32.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.758 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.8 pt -115.99 143.33 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.408 ' HE2' ' CE2' ' A' 1559 ' ' TYR . 64.3 pttt -151.95 -175.35 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.977 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.514 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.7 mptp? -87.05 155.97 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.2 p -85.61 -15.41 10.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 76.3 p -81.2 9.06 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.365 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.612 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 11.2 t -63.17 123.99 20.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.581 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 15.1 m -114.95 59.44 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.605 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 1.4 p-10 176.99 -31.22 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.253 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.612 ' HB3' ' SG ' ' A' 1588 ' ' CYS . . . -105.69 127.59 53.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 111.563 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -144.94 85.43 1.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.584 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.494 HD12 HD11 ' A' 1547 ' ' ILE . 1.3 mm? -55.37 123.08 12.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.694 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 60.1 t -102.35 133.61 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.67 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.1 ttmt -76.25 127.16 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 101.57 0.71 53.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.658 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.694 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 87.8 mtt180 -106.53 164.66 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.952 0.406 . . . . 0.0 111.378 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -112.74 137.13 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -136.59 147.66 47.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.08 0.467 . . . . 0.0 111.393 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' 1543 ' ' TYR . 59.3 tp -95.26 124.55 39.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.114 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.489 HG22 ' HE1' ' A' 1541 ' ' TYR . 59.6 mt -112.57 128.97 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.092 0.472 . . . . 0.0 111.807 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.418 ' HE2' ' HB ' ' A' 1533 ' ' THR . 71.0 mtp -145.54 109.4 4.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.095 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.893 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -177.62 -178.09 46.94 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.364 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.9 tppp? -57.97 161.18 4.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 0.0 111.135 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.854 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.2 pt-20 -66.17 -179.64 0.8 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.964 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -99.25 164.29 12.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.549 HD23 ' H ' ' A' 1607 ' ' LEU . 1.5 pt? -130.26 139.7 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.849 ' HB3' ' HD1' ' A' 1617 ' ' TYR . 56.9 tp60 -167.57 -94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.039 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.763 ' HA ' ' H ' ' A' 1615 ' ' PHE . 29.6 pt 35.01 44.02 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.051 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.404 ' HB3' ' CG ' ' A' 1615 ' ' PHE . 23.7 tptm -43.72 -83.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.756 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1611 ' ' TYR . . . . . 0.547 ' N ' ' HB2' ' A' 1615 ' ' PHE . 87.0 m-85 -89.7 151.94 21.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 66.2 t30 59.9 179.57 0.09 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.581 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -61.78 -15.68 43.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.171 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 67.6 m -163.13 106.41 1.03 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.763 ' H ' ' HA ' ' A' 1609 ' ' ILE . 88.6 t80 -92.76 -69.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.056 0.455 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.662 HH21 HD13 ' A' 1618 ' ' ILE . 34.6 ttp180 -142.79 -150.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.836 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.849 ' HD1' ' HB3' ' A' 1608 ' ' GLN . 0.1 OUTLIER -174.09 93.91 0.09 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.884 0.374 . . . . 0.0 111.095 179.443 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.662 HD13 HH21 ' A' 1616 ' ' ARG . 32.5 pt -116.29 123.75 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.635 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.467 ' HD1' ' H ' ' A' 1619 ' ' TYR . 0.8 OUTLIER -69.19 121.42 81.84 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.884 -179.354 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1620 ' ' PRO . . . . . 0.5 ' HG3' HD21 ' A' 1607 ' ' LEU . 38.4 Cg_endo -65.75 -24.11 55.02 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.722 2.281 . . . . 0.0 112.758 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.795 HD11 HD11 ' A' 1627 ' ' ILE . 55.4 tp 51.87 86.53 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -108.86 -177.57 3.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 65.9 p -67.68 -11.76 58.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.8 -33.75 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.505 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.502 ' O ' HG13 ' A' 1627 ' ' ILE . 60.3 m -60.28 98.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.087 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 61.0 t-105 -58.33 103.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.795 HD11 HD11 ' A' 1621 ' ' LEU . 84.3 mt -109.87 131.31 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -138.12 119.3 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.013 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.621 ' HB3' ' HA ' ' A' 1520 ' ' GLU . 80.7 t80 -57.28 136.06 56.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -101.47 102.04 20.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.477 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.4 Cg_exo -54.16 111.44 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.582 2.188 . . . . 0.0 112.406 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -87.95 -24.8 23.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.31 113.72 17.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 67.0 p -133.66 -24.7 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 67.3 p -127.07 -3.42 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 82.5 m -86.97 -66.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 80.2 p -103.54 13.27 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 53.9 m 60.06 97.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 53.6 t -160.96 105.05 1.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -136.1 6.62 3.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.8 -21.0 66.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 39.0 t80 -96.76 -42.89 7.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.488 ' H ' HD22 ' A' 1643 ' ' LEU . 2.9 mm? -65.43 -18.88 65.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -68.62 -54.85 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -75.22 -21.22 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.71 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 56.5 tp -78.96 -29.4 43.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.714 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.0 -34.29 78.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.05 -17.07 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.511 ' O ' HG22 ' A' 1653 ' ' ILE . 85.7 t80 -89.56 -24.69 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -57.96 -72.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.374 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.97 -27.16 61.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.5 ' OD1' ' HG3' ' A' 1531 ' ' LYS . 14.8 t70 -60.21 -68.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.28 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.524 HG12 ' HB3' ' A' 1567 ' ' TYR . 8.5 tp -67.97 -25.39 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.422 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 39.1 t80 -73.95 -36.53 64.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' 1655 ' ' LEU . 2.5 tm? -105.57 -71.54 0.74 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.711 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 12.6 m120 -82.41 26.35 0.56 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.495 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -62.49 178.16 5.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.059 -0.591 . . . . 0.0 113.145 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.909 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 53.4 m -145.79 -55.21 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.326 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 64.7 m80 -133.23 109.75 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 93.4 mmm 60.99 106.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.287 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -134.53 132.7 39.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.894 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.483 ' OD2' ' HB3' ' A' 1623 ' ' SER . 4.0 p-10 -73.75 -3.62 29.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.241 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' 1516 ' ' GLN . 29.7 p 41.8 -145.75 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -61.34 76.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.207 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' 1514 ' ' CYS . 65.1 tt0 -51.7 104.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.802 0.334 . . . . 0.0 110.97 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 64.4 mtt -86.3 140.5 30.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -84.17 176.87 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.03 171.49 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.34 145.94 45.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.44 ' HA ' HD22 ' A' 1521 ' ' LEU . 0.2 OUTLIER 59.67 14.53 4.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.217 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.537 ' OD2' HG13 ' A' 1525 ' ' ILE . 37.5 t70 -63.85 101.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.283 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.441 HD23 ' HD1' ' A' 1642 ' ' PHE . 21.9 mt -86.01 28.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.509 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 64.2 p -116.97 9.45 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.62 0.248 . . . . 0.0 111.345 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.537 HG13 ' OD2' ' A' 1522 ' ' ASP . 76.4 mt -104.45 137.73 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.997 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 48.7 m -84.61 -176.01 6.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -87.65 -32.35 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.167 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' 1532 ' ' GLN . 15.4 mm-40 -84.33 -24.95 29.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 71.4 m -61.89 -34.46 76.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.531 ' NH2' ' HG2' ' A' 1628 ' ' GLU . 13.0 ptm180 -102.0 2.12 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.693 ' HE3' HG13 ' A' 1653 ' ' ILE . 19.2 tptm -98.22 -37.19 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' 1528 ' ' GLU . 80.4 mt-30 -54.2 -27.63 35.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.43 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.714 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 85.4 m -66.68 -41.46 88.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.713 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -67.44 -11.07 56.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.8 t -104.67 -7.85 19.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.714 ' HE2' ' HA ' ' A' 1533 ' ' THR . 52.2 mtmt -71.86 150.51 92.95 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.96 -27.18 30.65 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.564 2.176 . . . . 0.0 112.182 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.0 -12.39 60.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.739 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.661 HD12 ' HA2' ' A' 1603 ' ' GLY . 40.6 mm -111.48 153.58 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.693 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.501 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -128.52 -66.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.7 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.834 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.7 p90 -98.11 156.82 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.382 0.611 . . . . 0.0 112.291 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' 1568 ' ' LYS . . . -150.33 100.45 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.585 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' A' 1565 ' ' ASP . 9.6 p90 -144.9 174.76 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.111 0.482 . . . . 0.0 111.79 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -114.98 139.17 50.05 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.118 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.878 HG12 ' HA ' ' A' 1563 ' ' LEU . 15.3 m -138.86 -179.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.639 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 11.2 t -144.12 122.66 12.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.701 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.562 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.1 mm -61.75 141.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.838 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 68.9 p -135.17 -33.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.626 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 36.9 t -130.23 155.56 46.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.09 0.471 . . . . 0.0 111.402 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.461 HG12 ' HD1' ' A' 1559 ' ' TYR . 86.8 mt -143.22 115.47 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 73.3 m -117.75 124.36 48.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.717 HG23 HG22 ' A' 1557 ' ' VAL . 5.7 p -136.28 136.98 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -101.94 -72.21 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 18.0 m120 -143.79 -72.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.483 ' HB ' ' HB ' ' A' 1586 ' ' VAL . 6.8 m -99.49 -51.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.454 ' N ' HG23 ' A' 1555 ' ' VAL . 63.2 m-85 -82.46 130.27 35.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.846 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.717 HG22 HG23 ' A' 1552 ' ' VAL . 40.8 t -113.76 151.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.417 ' CB ' HG22 ' A' 1583 ' ' ILE . 35.6 mttp -137.15 107.56 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.461 ' HD1' HG12 ' A' 1550 ' ' ILE . 96.2 m-85 -93.91 146.12 24.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.714 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 62.4 mttm -128.86 133.07 47.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.492 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.562 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -141.83 173.1 11.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.982 0.42 . . . . 0.0 111.577 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.3 m -110.11 134.34 52.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.784 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.878 ' HA ' HG12 ' A' 1545 ' ' VAL . 22.6 tp -72.69 122.13 20.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.081 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.9 mp -81.2 -42.0 21.46 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.337 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.0 t70 -168.02 155.1 8.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.732 0.301 . . . . 0.0 111.498 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.56 HG12 HD21 ' A' 1563 ' ' LEU . 16.2 mm -103.54 125.49 58.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.561 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.462 ' HB2' ' O ' ' A' 1542 ' ' ALA . 45.4 m-85 -106.19 -21.57 13.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.411 0.624 . . . . 0.0 109.588 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.501 ' HD2' ' O ' ' A' 1540 ' ' ALA . 3.4 tmtp? -151.21 118.88 6.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.13 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1569 ' ' THR . . . . . 0.587 HG22 ' H ' ' A' 1571 ' ' GLU . 2.9 m -46.44 151.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.115 0.483 . . . . 0.0 112.045 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.834 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -95.6 -4.96 60.4 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.905 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.587 ' H ' HG22 ' A' 1569 ' ' THR . 44.7 mt-10 74.49 -44.29 0.55 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.492 0.317 . . . . 0.0 110.91 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -87.8 48.75 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.492 . . . . 0.0 110.106 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 76.0 t 60.65 82.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.971 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.695 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -117.39 129.57 55.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.362 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.599 ' O ' HD23 ' A' 1563 ' ' LEU . 45.4 mt-10 -145.22 138.47 26.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.888 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 9.0 ptpp? -47.83 142.75 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.617 ' HA ' ' O ' ' A' 1563 ' ' LEU . 10.9 t70 71.37 31.53 2.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.419 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.664 ' H ' ' HB3' ' A' 1563 ' ' LEU . 4.4 m -92.87 -171.2 2.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -109.95 142.51 41.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.625 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.733 HD12 ' HE2' ' A' 1582 ' ' PHE . 32.1 pt -141.22 149.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.554 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 32.2 m -140.69 103.5 4.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.82 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.733 ' HE2' HD12 ' A' 1580 ' ' ILE . 89.4 m-85 -95.43 109.3 21.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.216 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.417 HG22 ' CB ' ' A' 1558 ' ' LYS . 41.5 pt -100.33 144.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.671 ' HB3' HD23 ' A' 1621 ' ' LEU . 65.4 pttt -129.65 175.09 9.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' 1585 ' ' LYS . 12.0 mptt -97.89 -175.23 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.483 ' HB ' ' HB ' ' A' 1555 ' ' VAL . 8.0 p -85.04 -27.93 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.056 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.0 p -83.09 7.52 15.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.473 ' C ' ' H ' ' A' 1590 ' ' ASN . 41.3 t -69.79 -95.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 38.7 m 71.51 -27.18 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.73 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' 1588 ' ' CYS . 16.9 m120 -79.42 -26.51 41.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' 1515 ' ' GLY . . . -113.14 101.32 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -125.92 109.83 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.445 ' HB3' HG13 ' A' 1547 ' ' ILE . 90.1 mt -79.88 120.48 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 88.7 t -84.22 127.77 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -67.48 141.94 56.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 71.38 36.24 63.19 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.376 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.603 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 35.5 ttm180 -142.34 153.69 44.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -98.48 136.56 38.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 0.0 111.496 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.511 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 80.7 m-85 -138.77 159.38 42.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.789 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' 1543 ' ' TYR . 44.6 tp -108.82 124.39 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.564 HD13 HG22 ' A' 1545 ' ' VAL . 2.4 mp -113.88 129.19 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.481 . . . . 0.0 111.618 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.618 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 77.1 mtp -142.32 111.47 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.923 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.661 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -167.28 178.72 41.26 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 119.825 -1.178 . . . . 0.0 113.789 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.654 ' HD3' ' N ' ' A' 1605 ' ' GLU . 7.2 tmtm? -56.55 156.19 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 111.167 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.654 ' N ' ' HD3' ' A' 1604 ' ' LYS . 39.4 tt0 -52.95 150.95 5.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.229 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -71.74 146.45 48.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.984 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.0 mt -68.98 130.9 44.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.807 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -80.5 -7.96 59.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.769 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.669 HG22 ' HD1' ' A' 1615 ' ' PHE . 21.2 pt -115.97 96.51 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.419 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.671 ' H ' ' H ' ' A' 1616 ' ' ARG . 39.8 ttpt -62.4 -19.95 63.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 37.2 p90 44.14 21.8 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.412 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1612 ' ' ASN . . . . . 0.625 ' HB2' ' HE3' ' A' 1610 ' ' LYS . 10.8 m120 -101.52 -38.57 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.913 0.387 . . . . 0.0 110.718 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -163.38 -20.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.668 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.9 t -168.15 144.49 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.458 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.669 ' HD1' HG22 ' A' 1609 ' ' ILE . 18.8 m-85 -53.39 99.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.671 ' H ' ' H ' ' A' 1610 ' ' LYS . 16.9 mmt180 -124.56 162.67 23.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -98.83 90.61 4.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 2.7 pp -106.27 152.4 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.601 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' 1582 ' ' PHE . 61.8 m-85 -101.06 123.34 45.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.297 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.86 -175.58 2.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.628 2.218 . . . . 0.0 112.234 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.671 HD23 ' HB3' ' A' 1584 ' ' LYS . 32.8 tp -154.9 96.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.558 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.1 m-20 -142.7 -174.04 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.483 ' HB3' ' OD2' ' A' 1513 ' ' ASP . 78.7 p -58.39 -22.76 55.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.6 -29.2 66.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 54.8 m -74.29 134.67 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.294 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.618 ' HB3' ' HB2' ' A' 1602 ' ' MET . 46.2 t-105 -99.07 106.04 18.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.5 mm -107.89 126.6 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.531 ' HG2' ' NH2' ' A' 1530 ' ' ARG . 10.0 tp10 -135.76 117.44 14.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.603 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 58.1 t80 -55.51 126.26 24.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.015 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.406 ' CE2' HD13 ' A' 1646 ' ' LEU . 20.4 t-105 -95.67 112.19 58.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.12 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.845 ' HG3' ' HB3' ' A' 1642 ' ' PHE . 10.8 Cg_endo -53.28 100.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.699 2.266 . . . . 0.0 112.393 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -60.88 -27.34 68.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.769 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -140.25 -169.53 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.004 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.646 ' OG1' ' HA ' ' A' 1639 ' ' CYS . 73.3 p -138.8 -72.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 5.2 t 175.35 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.513 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' 1638 ' ' SER . 29.4 p -118.68 -169.36 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.806 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 54.2 m -89.38 -1.13 57.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.014 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1638 ' ' SER . . . . . 0.425 ' HB2' ' SG ' ' A' 1636 ' ' CYS . 52.4 m -92.28 -14.13 29.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.05 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.646 ' HA ' ' OG1' ' A' 1634 ' ' THR . 26.5 p 40.92 90.5 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.732 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.524 ' N ' HG21 ' A' 1634 ' ' THR . 0.3 OUTLIER -146.48 7.16 0.98 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1641 ' ' ALA . . . . . 0.406 ' H ' ' CG2' ' A' 1634 ' ' THR . . . -49.98 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.378 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.845 ' HB3' ' HG3' ' A' 1631 ' ' PRO . 74.7 t80 -105.93 -14.97 15.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.083 0.468 . . . . 0.0 110.182 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.582 HD23 ' HG2' ' A' 1631 ' ' PRO . 20.2 mt -63.85 -21.1 66.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.717 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.51 77.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.787 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -84.18 -21.27 31.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.463 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.565 HD12 HD23 ' A' 1643 ' ' LEU . 89.6 mt -77.78 -31.59 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.704 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.48 -36.03 81.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.581 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -66.7 -56.62 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.714 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.53 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 86.1 t80 -55.81 -27.41 51.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.897 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -54.5 -63.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.162 0.506 . . . . 0.0 111.388 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.54 -1.97 56.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.39 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.53 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 15.9 t70 -84.72 -27.64 26.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.996 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.693 HG13 ' HE3' ' A' 1531 ' ' LYS . 20.0 tt -102.2 -27.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.035 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 46.1 t80 -76.43 -48.93 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.82 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 39.4 tp -71.72 -31.64 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.2 m-20 -94.29 -78.02 0.45 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.93 49.93 5.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.658 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.192 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.7 t -152.63 119.32 5.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 46.5 t60 -156.35 -32.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 64.7 mtt -74.98 -176.37 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -131.84 167.09 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.05 -74.5 0.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.996 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.492 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 39.3 t 48.91 83.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.453 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 127.97 -51.89 0.84 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.842 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 47.99 88.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.521 -0.34 . . . . 0.0 111.38 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.56 ' HE1' ' H ' ' A' 1592 ' ' GLU . 12.1 ptp -99.69 173.37 6.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -104.77 176.37 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.48 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 14.4 mm-40 -62.83 148.17 47.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.27 -75.69 0.08 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.277 0.56 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' 1521 ' ' LEU . 0.4 OUTLIER -121.25 93.41 4.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.925 -179.35 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.48 ' OD1' ' HB3' ' A' 1519 ' ' GLU . 4.0 m-20 -145.34 113.81 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.663 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.459 HD11 ' HB1' ' A' 1641 ' ' ALA . 28.9 mt -79.85 100.42 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.987 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1524 ' ' THR . . . . . 0.414 ' H ' ' H ' ' A' 1525 ' ' ILE . 7.6 t -170.23 -18.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.414 ' H ' ' H ' ' A' 1524 ' ' THR . 60.0 mt -92.64 125.08 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1526 ' ' SER . . . . . 0.47 ' HB2' ' OG1' ' A' 1529 ' ' THR . 68.7 m -81.68 161.56 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1527 ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -59.07 -55.76 30.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.702 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.38 -28.97 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.154 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1529 ' ' THR . . . . . 0.47 ' OG1' ' HB2' ' A' 1526 ' ' SER . 87.8 m -59.66 -37.09 77.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.43 ' NH2' HD23 ' A' 1646 ' ' LEU . 56.0 mtm180 -83.24 -40.2 19.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' A' 1658 ' ' CYS . 88.9 tttt -65.35 -22.02 66.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.761 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -55.66 -20.35 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.693 HG22 HG13 ' A' 1539 ' ' ILE . 95.5 m -101.65 -27.42 13.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.597 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.517 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -71.14 2.0 5.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.649 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.7 t -129.89 17.1 5.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 111.286 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.2 mtmt -94.65 152.09 39.63 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.27 -44.53 48.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.717 2.278 . . . . 0.0 112.57 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' 1539 ' ' ILE . 11.0 pt-20 -59.5 -22.72 62.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.693 HG13 HG22 ' A' 1533 ' ' THR . 33.6 mm -103.17 111.46 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.11 -58.62 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.447 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.454 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.3 p90 -106.76 159.73 16.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.055 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -148.71 102.37 3.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.404 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.701 ' HB2' HD11 ' A' 1563 ' ' LEU . 1.4 p90 -150.71 177.01 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.047 0.451 . . . . 0.0 112.015 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.431 ' HD2' ' OH ' ' A' 1567 ' ' TYR . 10.2 ptmm? -116.91 140.51 49.38 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.34 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.806 HG12 ' HA ' ' A' 1563 ' ' LEU . 5.7 m -134.22 -174.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.845 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 13.6 t -150.73 124.66 9.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.777 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.446 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 45.0 mm -61.82 143.4 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.803 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 69.8 p -133.55 -24.55 1.77 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.539 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.704 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 37.7 t -153.0 159.68 42.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 111.314 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.9 mt -139.45 130.52 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.887 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 87.5 m -140.82 107.91 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.82 HG13 HG22 ' A' 1557 ' ' VAL . 38.9 t -89.68 133.75 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1553 ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' 1556 ' ' PHE . 13.0 mm-40 -99.45 -168.32 1.59 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.77 -41.43 91.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.023 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 39.9 t -135.79 -55.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.29 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' 1553 ' ' GLU . 90.0 m-85 -81.4 105.01 12.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.82 HG22 HG13 ' A' 1552 ' ' VAL . 32.2 t -69.74 145.09 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.76 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.699 ' HE2' HD12 ' A' 1583 ' ' ILE . 35.2 mmtp -119.98 150.76 40.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.115 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.479 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 95.9 m-85 -139.86 125.67 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.794 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.704 ' HB3' ' HB3' ' A' 1549 ' ' SER . 0.1 OUTLIER -103.59 131.22 50.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -150.48 -173.9 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.372 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.7 m -131.56 131.75 43.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.806 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.8 tp -76.82 107.41 9.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.482 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' 1545 ' ' VAL . 4.2 mm? -66.48 -58.84 4.4 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.647 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 16.8 t70 -141.53 156.58 45.72 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.366 -0.533 . . . . 0.0 112.097 -178.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.577 ' CD1' HD21 ' A' 1563 ' ' LEU . 16.1 mm -104.26 118.27 51.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.586 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.705 ' HD2' HG21 ' A' 1653 ' ' ILE . 56.0 m-85 -99.94 -13.37 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.687 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 87.3 tttt -164.2 112.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.63 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 55.6 m -44.84 148.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.26 0.552 . . . . 0.0 112.177 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.753 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -106.06 151.84 17.05 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.121 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.74 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 13.6 mm-40 -77.56 -2.85 37.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.882 0.372 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -128.31 80.57 1.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.683 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' 1573 ' ' VAL . 5.5 p 35.27 82.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.784 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.753 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -107.23 124.03 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.913 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.723 ' HB3' ' HB3' ' A' 1578 ' ' SER . 29.4 tt0 -134.11 148.4 50.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.688 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.647 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 21.4 ptmt -78.52 48.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.509 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.644 ' HB2' ' O ' ' A' 1576 ' ' LYS . 18.9 t70 164.12 8.82 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.236 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.723 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 28.7 p -72.3 -171.65 0.8 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -101.71 149.77 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.376 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.56 HD12 ' CE2' ' A' 1582 ' ' PHE . 14.7 pt -143.72 145.93 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.041 0.448 . . . . 0.0 111.831 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1581 ' ' THR . . . . . 0.401 ' CG2' HG22 ' A' 1618 ' ' ILE . 16.8 m -133.69 99.92 4.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.318 179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.56 ' CE2' HD12 ' A' 1580 ' ' ILE . 70.7 m-85 -81.54 113.63 19.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.699 HD12 ' HE2' ' A' 1558 ' ' LYS . 4.9 tt -99.26 111.08 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.047 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.439 ' HB2' HD22 ' A' 1621 ' ' LEU . 35.2 ttpt -111.06 152.22 27.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.68 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.558 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 95.0 mttt -86.56 -179.72 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.1 p -91.1 -21.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 79.5 p -74.51 -33.1 62.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.31 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 1.3 m -58.73 107.88 0.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 58.5 m -103.65 -25.68 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.096 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -81.44 -25.06 36.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.453 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -92.11 109.21 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.27 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1592 ' ' GLU . . . . . 0.56 ' H ' ' HE1' ' A' 1517 ' ' MET . 43.3 mt-10 -132.07 140.89 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.593 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.428 HD11 HD21 ' A' 1621 ' ' LEU . 87.4 mt -126.57 144.07 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.075 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.4 ' CG1' ' HD3' ' A' 1597 ' ' ARG . 46.0 t -110.22 141.41 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.87 106.6 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 121.29 -19.75 8.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.744 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.739 ' HA ' ' HD2' ' A' 1632 ' ' ARG . 10.2 mpt_? -88.52 158.87 18.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.995 0.426 . . . . 0.0 111.443 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -102.03 144.75 30.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.526 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -143.04 157.87 44.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 0.0 111.421 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' 1543 ' ' TYR . 35.5 tp -104.23 120.68 41.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.228 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.575 HD13 HG22 ' A' 1545 ' ' VAL . 2.5 mp -115.34 126.27 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.972 0.415 . . . . 0.0 111.668 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.517 ' SD ' ' HB2' ' A' 1534 ' ' ALA . 25.9 mtm -142.26 118.5 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.055 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' 1539 ' ' ILE . . . -175.86 -177.83 45.2 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.317 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -56.55 155.7 7.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.867 0.365 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.74 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 13.3 pt-20 -57.55 170.05 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.984 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -91.81 116.02 28.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 9.9 mt -90.95 91.87 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.467 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.753 ' HG3' ' H ' ' A' 1618 ' ' ILE . 69.7 mm-40 -144.02 -85.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.024 0.44 . . . . 0.0 110.903 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.433 ' H ' ' HB2' ' A' 1608 ' ' GLN . 20.6 mt 66.73 114.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.335 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.49 ' HA ' ' H ' ' A' 1615 ' ' PHE . 41.0 ttmt -75.44 101.37 4.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.732 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 49.5 t80 -158.37 143.1 16.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 92.5 m-20 62.01 -84.52 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -88.37 0.28 56.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 55.1 m 58.4 93.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.49 ' H ' ' HA ' ' A' 1610 ' ' LYS . 98.1 m-85 -91.01 -48.3 7.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.647 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.486 ' O ' HG12 ' A' 1618 ' ' ILE . 79.2 ttt180 69.33 130.06 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.673 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.527 ' HA ' ' HB2' ' A' 1608 ' ' GLN . 7.8 m-85 -58.85 127.47 32.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.463 0.649 . . . . 0.0 112.183 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.753 ' H ' ' HG3' ' A' 1608 ' ' GLN . 2.0 pt -150.73 100.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.812 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.406 ' CE1' HG22 ' A' 1580 ' ' ILE . 60.7 m-85 -57.37 108.94 1.42 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.536 -178.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1620 ' ' PRO . . . . . 0.621 ' HA ' HG23 ' A' 1583 ' ' ILE . 69.4 Cg_endo -74.08 143.97 33.16 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.659 2.24 . . . . 0.0 112.221 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.548 HD11 ' HB3' ' A' 1582 ' ' PHE . 10.2 mp -103.04 93.33 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.84 177.17 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.668 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 61.1 p -61.0 -15.13 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.7 pp -94.02 14.66 19.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 62.7 m -109.34 119.91 40.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' A' 1601 ' ' ILE . 53.6 t-105 -82.45 110.47 17.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.69 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.8 mt -126.01 115.39 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -123.85 150.54 44.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -83.48 114.01 21.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.443 ' CE2' HD13 ' A' 1646 ' ' LEU . 2.5 t-105 -93.75 115.34 64.98 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.251 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.732 ' HB2' HD11 ' A' 1643 ' ' LEU . 75.9 Cg_exo -49.51 107.23 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.492 2.128 . . . . 0.0 112.432 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.739 ' HD2' ' HA ' ' A' 1597 ' ' ARG . 80.9 mtp180 -50.01 -35.5 24.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.245 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 39.2 t70 -117.05 147.95 41.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.051 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.715 HG22 ' HG ' ' A' 1643 ' ' LEU . 76.4 p -103.05 20.96 16.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.45 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 46.1 p -146.81 78.26 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.97 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 81.8 m -83.82 -75.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.1 t -121.19 -72.24 0.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 52.1 m -69.58 -67.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.71 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.476 ' SG ' ' HG3' ' A' 1640 ' ' GLN . 52.1 t -167.28 -89.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.85 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 40.4 mt-30 -131.19 73.52 1.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.629 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1641 ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' 1523 ' ' LEU . . . -54.24 -72.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 57.7 t80 -81.5 -21.59 38.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.85 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.7 mm? -72.01 -5.92 38.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -80.94 -43.79 19.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -73.25 -11.73 60.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.69 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' 1643 ' ' LEU . 80.1 mt -87.23 -28.7 22.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.775 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -63.73 -39.19 93.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.42 -50.66 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.764 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.468 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 85.4 t80 -62.33 -30.49 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.07 89.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.385 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -96.64 -4.38 41.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.8 t70 -89.85 -23.36 21.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.705 HG21 ' HD2' ' A' 1567 ' ' TYR . 9.5 tp -97.13 -18.11 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.041 0.448 . . . . 0.0 110.728 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.8 t80 -93.56 -48.1 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.294 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 45.3 tp -79.36 -54.76 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.0 m-20 -76.92 -74.63 0.23 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.182 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 72.88 119.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1658 ' ' CYS . . . . . 0.472 ' HB2' ' HE2' ' A' 1531 ' ' LYS . 42.2 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.087 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 51.7 m -143.46 148.52 36.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.0 m80 -85.3 151.78 23.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 58.5 ttp -141.73 111.47 6.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -148.45 110.88 4.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.99 100.39 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 5.4 p -101.13 24.5 9.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.268 0.556 . . . . 0.0 110.461 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -173.82 -43.8 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.428 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 58.23 97.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.918 0.389 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.424 ' HE2' ' HA ' ' A' 1591 ' ' ALA . 21.6 ptp -96.11 169.53 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1518 ' ' GLN . . . . . 0.408 ' HB2' ' HG2' ' A' 1628 ' ' GLU . 29.1 mm-40 -98.49 172.42 7.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.76 159.06 26.01 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1520 ' ' GLU . . . . . 0.679 ' HA ' ' HB3' ' A' 1629 ' ' TYR . 44.6 mt-10 -82.0 -19.33 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.671 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 41.1 mt -150.25 97.79 2.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -137.01 109.78 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.631 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 45.4 mt -86.61 12.46 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.954 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 73.6 p -85.69 -43.53 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.3 mt -74.3 134.87 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 62.9 m -92.12 -176.65 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1527 ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -74.98 -52.81 10.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -67.22 -21.09 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 72.5 m -66.23 -38.66 88.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -97.22 -3.11 41.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.536 ' HD3' ' O ' ' A' 1531 ' ' LYS . 1.1 tmtp? -84.54 -34.3 23.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.5 mm-40 -56.36 -21.86 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.002 0.43 . . . . 0.0 110.525 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.629 HG23 ' HE2' ' A' 1536 ' ' LYS . 82.6 m -80.66 -30.5 36.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.758 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.422 ' O ' ' HE2' ' A' 1568 ' ' LYS . . . -59.7 -52.71 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.187 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.8 t -85.04 8.46 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.674 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 33.4 ttpt -66.93 137.85 94.9 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.588 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1537 ' ' PRO . . . . . 0.647 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 9.6 Cg_endo -52.04 -53.25 7.28 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.921 2.414 . . . . 0.0 113.034 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.674 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 11.2 pt-20 -59.75 -18.59 44.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 0.0 111.201 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.798 HD12 ' HA2' ' A' 1603 ' ' GLY . 43.3 mm -96.8 140.14 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.842 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -107.56 -67.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.72 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.477 ' HE1' HG22 ' A' 1601 ' ' ILE . 5.4 p90 -103.23 158.69 16.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.182 0.515 . . . . 0.0 111.925 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -146.9 94.12 2.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.304 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.773 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 5.6 p90 -147.37 168.97 20.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 111.753 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.501 ' HG2' ' HE1' ' A' 1567 ' ' TYR . 23.2 ptmt -103.56 144.07 31.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.346 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.896 HG12 ' HA ' ' A' 1563 ' ' LEU . 18.9 m -140.92 -176.3 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.484 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.4 ' CB ' HD11 ' A' 1564 ' ' LEU . 15.1 t -147.83 129.94 15.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.834 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 42.5 mm -63.14 124.45 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1548 ' ' THR . . . . . 0.466 ' O ' ' HE3' ' A' 1595 ' ' LYS . 73.4 p -111.75 -13.18 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.63 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.715 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 35.1 t -169.28 157.83 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.989 0.424 . . . . 0.0 111.321 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.44 HG12 ' HD1' ' A' 1559 ' ' TYR . 76.3 mt -136.34 103.69 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.801 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.8 m -91.59 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.0 p -96.17 132.57 40.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.013 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1553 ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' 1556 ' ' PHE . 43.8 mt-10 -117.6 -166.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -60.27 -56.31 23.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.143 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 38.6 t -122.66 -45.5 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.381 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' 1553 ' ' GLU . 93.1 m-85 -85.23 168.93 14.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 111.12 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 69.9 t -143.27 144.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.621 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.502 ' HG2' ' CD1' ' A' 1583 ' ' ILE . 87.5 mttt -123.99 109.96 14.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.07 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.586 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 96.4 m-85 -88.5 107.55 18.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.715 ' HB3' ' HB3' ' A' 1549 ' ' SER . 22.3 tptm -84.88 120.31 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.468 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -141.24 163.73 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.053 0.454 . . . . 0.0 111.662 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.6 m -110.65 144.38 39.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.773 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.896 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.3 tt -77.62 119.54 21.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.172 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.572 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.0 mp -74.54 -48.93 24.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.783 0.325 . . . . 0.0 111.03 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.1 t70 -167.86 141.6 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.773 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.3 mt -96.96 129.95 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.066 0.46 . . . . 0.0 112.119 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.501 ' HE1' ' HG2' ' A' 1544 ' ' LYS . 48.3 m-85 -106.1 -15.92 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.125 178.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.646 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 61.7 tttp -153.42 112.49 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.749 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 72.5 m -45.41 146.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.153 0.501 . . . . 0.0 112.033 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.828 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -100.61 131.61 10.63 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.275 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -58.25 -27.95 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.68 42.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.502 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 71.1 t 56.56 91.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.321 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.828 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -114.63 136.72 52.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.672 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -138.96 149.35 44.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.096 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' 1576 ' ' LYS . 1.7 tmtp? -52.61 119.08 4.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.303 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.699 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 62.83 69.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 22.8 t -111.97 -166.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.411 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -110.8 135.92 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.697 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.606 HD12 ' HE1' ' A' 1582 ' ' PHE . 18.3 pt -141.38 143.11 28.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.618 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 6.2 m -127.79 105.85 8.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.657 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.606 ' HE1' HD12 ' A' 1580 ' ' ILE . 64.3 m-85 -80.4 104.27 10.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.075 0.464 . . . . 0.0 111.219 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.502 ' CD1' ' HG2' ' A' 1558 ' ' LYS . 1.1 mm -81.97 120.3 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.26 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.586 ' HB2' HD23 ' A' 1621 ' ' LEU . 34.1 ttpt -142.76 157.92 44.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.043 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -91.86 -176.55 4.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 13.8 p -100.51 -9.19 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.5 p -71.35 -25.41 62.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.477 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.9 m -60.24 167.99 2.19 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.017 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 28.4 m -154.33 -17.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.748 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' 1517 ' ' MET . 36.0 m-80 -110.06 -13.56 14.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.185 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.424 ' HA ' ' HE2' ' A' 1517 ' ' MET . . . -103.23 39.64 1.54 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -100.23 111.18 23.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.518 ' N ' HD12 ' A' 1593 ' ' LEU . 3.4 mp -95.89 158.68 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 49.6 t -104.75 146.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' 1548 ' ' THR . 86.9 tttt -81.58 141.52 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 93.4 -12.69 69.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.779 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.697 ' HD3' ' HE2' ' A' 1629 ' ' TYR . 93.0 mtt180 -99.64 171.9 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.432 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.542 ' HG3' ' HD2' ' A' 1632 ' ' ARG . 27.1 mt-30 -111.88 133.46 54.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -135.06 141.62 46.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.314 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 61.0 tp -78.29 140.44 38.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.149 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.477 HG22 ' HE1' ' A' 1541 ' ' TYR . 47.9 mm -128.93 121.4 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.105 0.478 . . . . 0.0 111.755 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.413 ' O ' ' HB3' ' A' 1626 ' ' TRP . 74.0 mtp -145.68 109.0 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.001 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.798 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -174.69 -172.94 40.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 119.875 -1.155 . . . . 0.0 113.646 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.475 ' HZ3' ' HG2' ' A' 1605 ' ' GLU . 27.8 tptp -53.44 157.37 2.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.45 -0.375 . . . . 0.0 111.277 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.623 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.7 pt-20 -71.22 -174.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.44 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -93.85 -177.22 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.0 mt -93.36 -168.93 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.432 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 21.2 tt0 -155.8 98.43 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.468 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' 1616 ' ' ARG . 3.0 mt -123.6 24.77 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.027 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.584 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 0.0 OUTLIER -49.1 138.48 12.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.084 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 80.7 t80 -111.96 -69.23 0.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -167.15 -59.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.46 82.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 46.6 t -147.82 144.7 28.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.988 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.584 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 27.9 p90 -93.35 146.59 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.979 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.558 ' HB2' ' HB ' ' A' 1609 ' ' ILE . 25.5 mmm180 -108.62 92.28 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.432 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 29.6 m-85 -115.81 28.18 8.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.926 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.511 ' O ' HD12 ' A' 1618 ' ' ILE . 2.6 pp -52.37 146.05 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.489 ' CE1' HG22 ' A' 1580 ' ' ILE . 56.1 m-85 -97.5 122.72 54.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.816 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.59 -174.49 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.523 2.149 . . . . 0.0 112.204 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' 1584 ' ' LYS . 44.3 tp -159.2 95.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.776 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.522 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.8 m-20 -122.83 -176.54 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 75.2 p -63.66 -17.35 62.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.95 10.75 10.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.836 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.508 HG22 HG13 ' A' 1627 ' ' ILE . 36.7 m -100.4 106.79 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.413 ' HB3' ' O ' ' A' 1602 ' ' MET . 59.2 t-105 -78.1 104.13 8.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.777 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.508 HG13 HG22 ' A' 1625 ' ' THR . 66.0 mt -120.83 141.48 41.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.085 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' 1518 ' ' GLN . 47.6 mt-10 -138.81 -176.81 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.697 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 63.5 t80 -114.37 135.28 54.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.68 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -106.27 100.78 31.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.723 ' HB2' HD21 ' A' 1643 ' ' LEU . 52.8 Cg_exo -52.73 110.54 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.608 2.205 . . . . 0.0 112.414 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.542 ' HD2' ' HG3' ' A' 1598 ' ' GLN . 74.0 mtp180 -81.22 -5.39 57.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -100.6 115.46 30.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 70.2 p -134.19 1.0 3.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 71.7 p -86.55 -2.35 58.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 81.9 m -94.76 176.42 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.6 t -97.62 136.32 38.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 53.9 m 59.18 16.56 4.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 53.0 t -102.96 -25.24 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.797 ' HA ' HD23 ' A' 1643 ' ' LEU . 11.8 pt20 -89.26 10.71 21.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.55 96.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 71.9 t80 -65.56 -32.82 74.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.797 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -73.07 -32.39 64.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1644 ' ' ALA . . . . . 0.406 ' HA ' ' OD2' ' A' 1647 ' ' ASP . . . -59.32 -48.53 81.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -73.27 -4.99 36.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 51.9 tp -99.58 -25.87 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1647 ' ' ASP . . . . . 0.406 ' OD2' ' HA ' ' A' 1644 ' ' ALA . 45.7 m-20 -59.71 -41.47 90.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.652 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.68 -28.04 68.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.652 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.441 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 73.4 t80 -79.84 -33.01 40.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -62.26 -24.58 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.411 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -102.7 -35.81 8.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.941 0.401 . . . . 0.0 111.013 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' A' 1656 ' ' ASN . 20.2 t70 -62.9 -11.4 18.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.291 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' 1649 ' ' PHE . 9.3 tp -106.05 -30.86 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 111.193 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 50.6 t80 -93.68 -55.34 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' 1655 ' ' LEU . 1.6 tm? -66.03 -43.95 86.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.332 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' A' 1652 ' ' ASP . 4.0 m-20 -89.71 -70.9 0.64 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.246 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.89 174.73 37.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.886 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.6 t -152.63 -61.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.714 0.292 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 52.9 t-80 64.85 150.22 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1511 ' ' MET . . . . . 0.732 ' HG2' ' H ' ' A' 1512 ' ' ALA . 22.2 ttp -162.56 -167.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.473 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1512 ' ' ALA . . . . . 0.732 ' H ' ' HG2' ' A' 1511 ' ' MET . . . 78.4 -61.37 0.37 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.011 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -129.79 22.37 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.142 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' 1589 ' ' THR . 31.6 p -46.64 141.58 3.71 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 42.89 40.1 3.95 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.131 -1.033 . . . . 0.0 111.161 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -32.16 112.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.87 -0.665 . . . . 0.0 112.056 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.441 ' HE3' ' H ' ' A' 1592 ' ' GLU . 24.5 mmt -97.09 -168.16 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.53 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -136.31 165.82 24.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.76 139.92 55.61 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -66.12 -23.3 66.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 70.0 mt -149.57 99.83 2.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -120.47 119.04 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.746 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 54.4 mt -106.08 4.52 29.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 70.7 p -92.67 -26.22 17.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.7 mt -80.89 129.43 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.8 m -82.86 163.41 21.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -68.72 -21.9 64.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.0 mt-10 -88.4 -28.94 20.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 64.4 m -62.55 -44.01 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' 1530 ' ' ARG . 4.4 ptp180 -76.41 -9.42 58.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.683 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 22.8 tptm -91.56 -26.19 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.0 mm-40 -59.03 -17.41 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.988 0.423 . . . . 0.0 110.465 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.773 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 71.1 m -93.42 -28.33 16.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.683 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -68.82 -41.27 78.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.514 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 31.2 t -70.36 -5.52 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.773 ' HE2' ' HA ' ' A' 1533 ' ' THR . 49.9 mtmt -79.95 142.5 56.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.978 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1537 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 32.3 Cg_exo -58.39 -28.2 84.17 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.732 2.288 . . . . 0.0 112.317 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.88 -30.94 69.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.879 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -99.15 120.36 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -93.92 -59.1 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.962 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.46 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -105.78 167.5 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.426 0.631 . . . . 0.0 112.36 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -156.07 114.78 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.438 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.709 ' HB2' HD11 ' A' 1563 ' ' LEU . 0.8 OUTLIER -167.22 171.02 11.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 112.088 -179.308 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.468 ' HE2' ' CD2' ' A' 1630 ' ' TRP . 15.0 ttmt -106.27 124.37 49.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.601 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' 1563 ' ' LEU . 30.4 m -114.76 177.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.348 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.454 ' HB3' HD11 ' A' 1564 ' ' LEU . 80.6 p -146.17 116.01 7.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.045 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.437 HD13 ' HB2' ' A' 1561 ' ' ALA . 39.6 mm -55.67 142.69 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.726 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1548 ' ' THR . . . . . 0.41 ' O ' ' HE3' ' A' 1595 ' ' LYS . 61.6 p -130.46 -34.36 1.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.77 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 75.3 m -147.48 146.92 29.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 111.533 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.1 mt -129.67 138.58 53.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 68.5 m -151.28 136.9 17.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.235 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.743 HG23 HG22 ' A' 1557 ' ' VAL . 5.1 p -115.25 137.77 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -139.7 119.65 13.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 52.7 t30 59.81 -84.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.11 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' 1556 ' ' PHE . 5.0 m -131.24 -48.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' A' 1584 ' ' LYS . 96.3 m-85 -69.83 120.69 15.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.743 HG22 HG23 ' A' 1552 ' ' VAL . 30.7 t -98.0 116.36 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.747 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.6 OUTLIER -83.94 150.32 25.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -137.7 101.34 4.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -82.43 111.13 18.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.467 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.437 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -114.62 -178.3 3.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.489 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 10.0 m -136.3 114.75 11.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.73 HD21 HG12 ' A' 1566 ' ' ILE . 16.4 tp -60.63 103.83 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' 1545 ' ' VAL . 74.0 mt -61.04 -41.06 95.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.226 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.472 ' O ' HD11 ' A' 1563 ' ' LEU . 20.8 t70 -168.97 150.45 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.73 HG12 HD21 ' A' 1563 ' ' LEU . 54.6 mt -90.44 142.52 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 121.149 0.5 . . . . 0.0 112.009 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.507 ' HB2' ' O ' ' A' 1542 ' ' ALA . 42.0 m-85 -121.42 -13.49 8.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.14 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.6 tttp -168.79 109.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.429 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 26.3 m -42.29 143.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.213 0.53 . . . . 0.0 112.288 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.796 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -100.86 126.4 8.91 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.33 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -59.04 -24.68 63.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.785 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -91.07 43.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.628 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.5 t 58.34 92.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.215 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.796 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -125.01 129.35 50.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.602 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.591 ' O ' HD23 ' A' 1563 ' ' LEU . 43.2 mt-10 -136.33 152.93 51.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.522 ' N ' HD11 ' A' 1566 ' ' ILE . 61.3 tttm -60.93 129.71 42.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.981 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.7 t70 62.02 43.87 8.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.179 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 45.0 m -90.95 -176.81 4.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.661 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -122.39 119.63 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.616 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.748 HD13 ' H ' ' A' 1580 ' ' ILE . 0.2 OUTLIER -130.94 160.32 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.395 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 20.2 m -123.03 133.53 54.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' 1619 ' ' TYR . 36.5 m-85 -117.44 114.62 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.747 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.8 pt -98.87 152.46 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.367 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.778 ' HB3' HD12 ' A' 1621 ' ' LEU . 60.8 pttt -142.71 -172.23 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.563 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -124.01 135.03 53.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 19.6 m -65.84 -11.94 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.2 p -88.3 2.94 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 11.0 t -88.67 124.29 33.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1589 ' ' THR . . . . . 0.48 ' N ' ' SG ' ' A' 1514 ' ' CYS . 20.8 m -113.5 65.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.957 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' 1514 ' ' CYS . 26.4 t-20 -175.16 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -84.39 131.56 34.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.003 0.43 . . . . 0.0 111.5 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1592 ' ' GLU . . . . . 0.441 ' H ' ' HE3' ' A' 1517 ' ' MET . 27.8 mm-40 -141.06 138.81 33.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.775 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 97.0 mt -135.75 121.29 19.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 67.5 t -99.01 142.43 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' 1548 ' ' THR . 87.2 tttt -69.28 141.13 54.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 58.63 66.1 3.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.57 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.445 ' HB3' ' CE2' ' A' 1599 ' ' TYR . 32.3 ttt180 -151.85 150.93 30.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.66 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -87.19 116.67 25.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.481 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' 1597 ' ' ARG . 49.0 m-85 -130.06 123.85 31.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.062 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.896 ' HB3' ' HB2' ' A' 1628 ' ' GLU . 55.0 tp -82.41 122.44 28.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.427 HD13 ' CZ ' ' A' 1582 ' ' PHE . 85.6 mt -117.17 138.19 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.025 0.441 . . . . 0.0 111.643 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.589 ' HG2' HG21 ' A' 1539 ' ' ILE . 57.9 ttp -154.9 128.23 8.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.403 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.879 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 161.47 -158.27 30.02 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.472 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 27.1 tptp -43.75 154.12 0.11 Allowed 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 122.75 0.42 . . . . 0.0 111.654 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 10.3 pt-20 -82.1 55.7 2.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.487 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . 53.62 -167.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.964 0.411 . . . . 0.0 111.647 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.642 ' HG ' ' H ' ' A' 1609 ' ' ILE . 25.7 tp -98.7 164.5 12.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.599 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.407 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 35.8 tt0 -114.97 -15.73 11.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.842 0.353 . . . . 0.0 111.321 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.642 ' H ' ' HG ' ' A' 1607 ' ' LEU . 0.2 OUTLIER -139.05 99.99 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.044 0.45 . . . . 0.0 111.377 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.778 ' HB2' ' HB2' ' A' 1616 ' ' ARG . 62.3 tttp -53.07 -29.9 32.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.029 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 76.1 t80 56.07 92.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.131 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -176.27 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.661 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -168.67 -20.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.756 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.8 p -166.88 131.8 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.688 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1615 ' ' PHE . . . . . . . . . . . . . 45.7 p90 -52.03 137.42 27.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.778 ' HB2' ' HB2' ' A' 1610 ' ' LYS . 34.4 mmt180 -149.74 160.42 43.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 3.2 m-85 -105.15 80.81 1.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.613 HD12 HD13 ' A' 1583 ' ' ILE . 41.8 pt -105.85 130.06 57.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' 1582 ' ' PHE . 2.8 m-85 -72.77 115.13 36.78 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.235 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.23 -172.19 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.728 2.285 . . . . 0.0 112.399 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.778 HD12 ' HB3' ' A' 1584 ' ' LYS . 83.5 mt -143.74 99.79 3.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.729 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -123.1 -171.61 2.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.7 p -80.48 0.86 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.6 pp -95.3 -34.9 12.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.463 ' O ' HG12 ' A' 1627 ' ' ILE . 39.0 m -59.14 97.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.172 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -60.33 105.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.796 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' 1625 ' ' THR . 50.6 mm -101.97 142.68 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.0 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.896 ' HB2' ' HB3' ' A' 1600 ' ' LEU . 20.8 mm-40 -141.52 158.91 43.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 48.3 t80 -107.46 132.29 53.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.586 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.468 ' CD2' ' HE2' ' A' 1544 ' ' LYS . 4.4 t-105 -107.88 103.42 49.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.797 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.631 ' HB3' ' HB3' ' A' 1639 ' ' CYS . 72.0 Cg_exo -49.37 117.77 3.15 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.641 2.228 . . . . 0.0 112.263 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -77.8 5.25 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.222 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -140.07 179.23 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.383 . . . . 0.0 111.22 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 57.4 p -140.04 -60.99 0.53 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.061 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 70.7 p -83.93 10.31 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.251 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.3 t -59.63 -57.85 11.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.3 t -160.8 -58.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 38.9 t -149.64 9.18 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' 1631 ' ' PRO . 82.5 m -62.35 -27.41 69.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -69.54 -30.2 67.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.28 70.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.212 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.496 ' HE2' HD22 ' A' 1646 ' ' LEU . 55.6 t80 -87.94 -33.92 18.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' 1631 ' ' PRO . 1.1 tp -70.1 -11.98 61.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -93.35 -31.89 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -87.25 -20.08 27.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.496 HD22 ' HE2' ' A' 1642 ' ' PHE . 62.3 tp -91.29 -24.02 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.09 -34.81 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.785 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -63.81 -37.29 86.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.759 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.452 ' O ' HG22 ' A' 1653 ' ' ILE . 89.3 t80 -76.81 -27.96 55.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -61.86 -23.38 66.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.278 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -115.93 -3.58 12.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.037 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' 1656 ' ' ASN . 20.5 t70 -90.68 -10.62 42.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.516 HD11 ' HD2' ' A' 1568 ' ' LYS . 6.9 tp -108.27 -30.6 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.037 0.446 . . . . 0.0 110.788 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 38.1 t80 -84.67 -46.83 11.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.992 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.36 -63.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.715 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' 1652 ' ' ASP . 13.6 m120 -63.93 -72.45 0.14 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.404 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 68.71 162.03 2.46 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.401 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 38.9 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.893 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.1 t -142.51 -5.48 0.94 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 42.9 t60 -66.36 118.68 10.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 50.0 tpp -147.2 128.59 14.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -146.21 151.47 37.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -62.14 -79.4 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.552 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 8.2 t 52.1 92.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.305 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . 80.67 42.79 9.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.707 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -47.81 130.77 14.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.377 -0.411 . . . . 0.0 111.207 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 85.0 mtp -118.1 166.19 12.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -94.14 153.86 17.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.68 167.14 13.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -99.19 120.53 39.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.2 mt 57.01 90.33 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' 1524 ' ' THR . 7.5 p-10 -148.27 83.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.884 ' H ' HD22 ' A' 1523 ' ' LEU . 0.5 OUTLIER -59.8 98.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1524 ' ' THR . . . . . 0.433 HG22 ' O ' ' A' 1522 ' ' ASP . 7.5 t -173.81 -18.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.407 ' H ' ' H ' ' A' 1524 ' ' THR . 61.2 mt -88.69 135.38 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.5 t -81.73 150.86 27.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.37 59.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -73.49 -36.88 65.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 63.1 m -59.51 -33.35 71.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.553 HH22 HD12 ' A' 1646 ' ' LEU . 55.5 mtm180 -81.92 -40.4 22.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.569 ' HD3' ' O ' ' A' 1531 ' ' LYS . 1.5 tmtp? -58.79 -41.34 86.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.695 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.2 mm-40 -51.74 -29.41 18.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.67 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.717 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 59.3 m -70.43 -38.32 74.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.428 ' HB2' ' HE3' ' A' 1602 ' ' MET . . . -69.02 -25.64 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.986 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 42.3 t -85.34 -14.08 47.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.717 ' HE3' ' HA ' ' A' 1533 ' ' THR . 97.8 mttt -58.03 150.37 51.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.23 -4.36 12.56 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.457 2.105 . . . . 0.0 112.202 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -92.02 -71.28 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.702 HG13 HG22 ' A' 1533 ' ' THR . 43.6 mm -48.63 147.48 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.55 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.495 ' N ' ' HA ' ' A' 1604 ' ' LYS . . . -119.73 -70.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.638 ' HA ' ' O ' ' A' 1568 ' ' LYS . 8.7 p90 -89.63 144.37 26.05 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.628 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -155.49 108.79 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.77 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER -175.64 -123.81 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.636 178.083 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.483 ' N ' ' HD1' ' A' 1543 ' ' TYR . 39.1 ttmt -135.95 147.52 48.11 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.431 0.634 . . . . 0.0 112.242 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.652 ' HA ' ' H ' ' A' 1564 ' ' LEU . 3.6 m -144.01 168.61 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.058 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 31.3 t -138.15 118.99 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 111.409 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 45.9 mm -57.45 135.71 21.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.715 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 75.6 p -111.16 -43.8 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.626 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 66.7 m -151.37 161.33 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.033 0.444 . . . . 0.0 111.471 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 78.4 mt -127.93 98.68 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.693 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1551 ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 85.3 m -81.89 122.51 27.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.326 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 89.7 t -111.93 122.98 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.745 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -109.25 -73.59 0.68 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.031 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 44.6 t30 -167.88 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' 1586 ' ' VAL . 62.1 t -95.17 -21.39 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' 1584 ' ' LYS . 89.9 m-85 -126.49 108.29 11.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.768 HG23 HG12 ' A' 1586 ' ' VAL . 86.6 t -93.37 115.3 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.776 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.854 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.7 OUTLIER -85.71 144.76 27.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 -179.798 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -127.16 99.54 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.603 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -79.66 137.79 37.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -151.84 176.3 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.198 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 51.8 m -123.58 111.85 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.995 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.67 HD21 ' CG1' ' A' 1566 ' ' ILE . 14.6 tp -64.98 101.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.515 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.652 ' H ' ' HA ' ' A' 1545 ' ' VAL . 10.8 mp -56.14 -66.53 0.42 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.875 0.369 . . . . 0.0 111.97 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.77 ' O ' ' HB3' ' A' 1543 ' ' TYR . 8.2 m-20 -139.14 168.47 19.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.67 ' CG1' HD21 ' A' 1563 ' ' LEU . 10.1 mm -136.04 113.07 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.686 0.616 . . . . 0.0 112.428 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' 1542 ' ' ALA . 20.1 m-85 -75.88 -45.95 32.81 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' 1541 ' ' TYR . 55.4 tttm -123.05 124.23 42.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.142 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1569 ' ' THR . . . . . 0.797 HG22 ' H ' ' A' 1571 ' ' GLU . 26.9 m -51.66 141.27 16.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.59 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.747 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -80.04 1.23 80.7 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.834 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.797 ' H ' HG22 ' A' 1569 ' ' THR . 44.9 mt-10 58.8 9.74 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.589 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -147.34 80.32 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' 1573 ' ' VAL . 21.3 t 46.05 45.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.372 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.747 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -104.31 134.38 47.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.672 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.61 ' HG2' ' HB3' ' A' 1578 ' ' SER . 11.2 pt-20 -167.06 152.85 7.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' 1565 ' ' ASP . 21.7 ptmt -56.09 128.75 36.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' 1563 ' ' LEU . 12.7 t70 69.14 41.19 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.234 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.61 ' HB3' ' HG2' ' A' 1575 ' ' GLU . 85.3 p -104.04 -165.29 1.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.63 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -112.23 138.23 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.638 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.683 HD12 ' HE1' ' A' 1582 ' ' PHE . 32.6 pt -139.24 152.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.391 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 35.6 m -146.39 118.7 8.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.683 ' HE1' HD12 ' A' 1580 ' ' ILE . 92.7 m-85 -108.67 117.7 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.854 HG22 ' HG3' ' A' 1558 ' ' LYS . 50.9 pt -100.28 147.52 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.764 ' HE2' ' HA ' ' A' 1586 ' ' VAL . 6.3 ttpm? -131.17 155.05 47.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.763 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' 1586 ' ' VAL . 50.6 mtpt -92.0 22.09 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.768 HG12 HG23 ' A' 1557 ' ' VAL . 2.3 m 48.68 18.42 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.976 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1587 ' ' THR . . . . . 0.541 HG23 ' O ' ' A' 1585 ' ' LYS . 47.2 p -93.52 -31.51 14.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.344 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.652 ' HB2' ' HD2' ' A' 1584 ' ' LYS . 73.6 m -62.91 153.34 33.77 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.225 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 59.0 m -128.52 -28.32 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.055 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 7.0 t30 -88.89 -28.78 20.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.518 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -77.72 106.06 9.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.195 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -134.44 120.28 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.7 mt -98.48 170.63 8.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 78.6 t -132.09 133.09 60.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -67.72 132.58 47.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 64.64 75.62 0.37 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.706 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.551 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 31.4 ttm180 -169.91 143.1 2.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -83.52 122.29 28.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.386 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.551 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 57.6 m-85 -128.18 142.9 51.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.367 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' 1543 ' ' TYR . 26.2 tp -80.69 125.48 30.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.659 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.555 HD12 HG21 ' A' 1545 ' ' VAL . 30.4 mt -127.47 134.34 65.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.469 0.652 . . . . 0.0 112.532 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.561 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 79.1 mtp -140.57 93.36 2.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.337 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . -133.36 157.63 22.81 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.451 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.495 ' HA ' ' N ' ' A' 1540 ' ' ALA . 0.0 OUTLIER -64.0 -174.84 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.04 0.448 . . . . 0.0 111.876 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.589 ' HG3' ' HB2' ' A' 1572 ' ' ALA . 35.6 tt0 -69.1 157.93 35.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.011 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.457 ' C ' HD22 ' A' 1607 ' ' LEU . . . -75.03 -177.86 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.484 ' N ' HD22 ' A' 1607 ' ' LEU . 3.0 mm? -120.99 123.92 43.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -66.63 139.95 57.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.47 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.608 HG13 ' HB2' ' A' 1616 ' ' ARG . 11.7 pt -139.69 -23.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.825 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.883 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 1.4 tmtp? 57.73 99.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1611 ' ' TYR . . . . . 0.602 ' HB3' ' HG3' ' A' 1616 ' ' ARG . 79.6 t80 -141.41 -48.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1612 ' ' ASN . . . . . 0.849 ' HB2' ' HD3' ' A' 1616 ' ' ARG . 91.4 m-20 -116.57 147.49 41.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.629 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 64.02 -80.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1614 ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' 1610 ' ' LYS . 56.0 m -153.52 -16.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.883 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 15.0 p90 -173.92 147.46 1.31 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.849 ' HD3' ' HB2' ' A' 1612 ' ' ASN . 25.1 mmm180 -122.52 130.43 53.03 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -115.6 48.98 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.502 HD12 HD13 ' A' 1583 ' ' ILE . 44.0 pt -60.72 141.83 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.709 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' 1582 ' ' PHE . 57.1 m-85 -90.44 132.16 36.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.179 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.32 -165.06 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.627 2.218 . . . . 0.0 112.223 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.644 HD23 ' HB2' ' A' 1584 ' ' LYS . 53.0 tp -152.65 101.34 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.533 ' O ' ' HA2' ' A' 1515 ' ' GLY . 10.0 m-20 -130.55 -170.0 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 62.6 p -74.0 -30.5 62.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.785 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.518 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.5 pt? -66.14 -13.74 60.66 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 110.82 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.434 HG22 HG13 ' A' 1627 ' ' ILE . 73.0 m -68.94 115.39 8.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.561 ' HB3' ' HB2' ' A' 1602 ' ' MET . 62.5 t-105 -83.68 113.8 21.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.554 ' HA ' ' O ' ' A' 1600 ' ' LEU . 68.0 mt -131.13 129.83 63.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -148.95 118.67 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.445 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 74.9 t80 -50.46 138.0 18.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.443 ' CZ3' HD23 ' A' 1646 ' ' LEU . 9.9 t-105 -106.19 117.02 58.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.99 114.67 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.684 2.256 . . . . 0.0 112.618 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -60.42 -33.12 72.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -134.8 -169.28 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.022 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.713 HG22 HD12 ' A' 1643 ' ' LEU . 69.8 p -128.67 -31.25 2.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.256 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 73.0 p -97.25 -19.97 18.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.342 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 73.7 m -71.12 116.7 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.986 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 36.5 t 60.43 12.1 3.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.229 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.6 t 56.7 93.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 26.8 p -143.56 11.57 1.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.649 ' HB2' ' HB ' ' A' 1634 ' ' THR . 33.9 tt0 -63.21 -25.28 68.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.09 -21.76 61.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.299 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.45 ' O ' HD13 ' A' 1646 ' ' LEU . 34.4 t80 -84.03 -42.86 15.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.713 HD12 HG22 ' A' 1634 ' ' THR . 80.3 mt -73.88 3.03 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.21 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.62 -28.7 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.636 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -89.75 -39.36 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.566 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.553 HD12 HH22 ' A' 1530 ' ' ARG . 8.3 mp -70.61 -22.24 62.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.62 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.45 -45.64 91.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.18 -42.79 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.636 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.518 ' O ' HG22 ' A' 1653 ' ' ILE . 70.3 t80 -57.68 -35.71 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.812 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.66 -64.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.201 0.524 . . . . 0.0 111.463 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -69.73 -3.27 14.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.683 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -85.29 -72.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.547 HD13 ' HE3' ' A' 1531 ' ' LYS . 5.2 tp -57.43 -30.85 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 63.3 t80 -69.89 -53.59 17.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.6 tt -84.07 -68.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -60.81 -74.74 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.195 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.489 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.88 128.99 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.518 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.1 t -139.33 110.12 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.337 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 46.7 t60 -110.46 117.97 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.09 164.49 32.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1512 ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' 1588 ' ' CYS . . . -159.82 105.34 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.013 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -73.67 131.85 42.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.053 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.509 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 19.2 p -110.38 29.54 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.296 0.57 . . . . 0.0 110.315 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.706 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 152.2 73.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.148 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -51.38 103.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.836 0.351 . . . . 0.0 110.949 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 64.9 mtt -83.31 146.32 28.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.11 158.03 36.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.677 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 45.6 mt-10 -61.81 149.99 38.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.74 134.22 34.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 95.5 mt 58.44 19.09 6.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.264 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.677 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 30.0 t70 -64.41 100.6 0.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.433 HD23 ' HD1' ' A' 1642 ' ' PHE . 64.3 mt -93.4 92.8 7.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.217 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.9 t -178.05 -8.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.051 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.22 143.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 81.2 p -83.96 -179.91 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -99.2 0.49 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -98.02 -19.83 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.008 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 56.1 m -76.08 -33.22 59.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.414 ' NH1' HD23 ' A' 1646 ' ' LEU . 4.6 ptp180 -95.85 14.38 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.454 ' HD3' ' C ' ' A' 1531 ' ' LYS . 7.3 tmtm? -119.91 -52.41 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -59.81 -26.04 65.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.69 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 45.3 m -81.97 -24.05 35.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.75 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.49 ' HB1' ' HD3' ' A' 1568 ' ' LYS . . . -64.43 -46.04 84.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1535 ' ' CYS . . . . . 0.724 ' HA ' ' HE2' ' A' 1568 ' ' LYS . 38.1 t -90.36 5.49 47.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.723 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.69 ' HE2' ' HA ' ' A' 1533 ' ' THR . 24.3 ttmm -61.07 138.76 94.31 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.769 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.76 -22.02 16.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.596 2.198 . . . . 0.0 112.416 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.515 ' H ' ' HG2' ' A' 1536 ' ' LYS . 40.2 tt0 -83.01 -31.2 27.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.897 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -97.37 117.26 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.006 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -82.36 -51.42 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.375 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.925 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.1 p90 -115.43 155.48 27.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.401 0.62 . . . . 0.0 112.199 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' 1568 ' ' LYS . . . -144.86 104.51 4.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.517 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.69 ' HB2' ' O ' ' A' 1565 ' ' ASP . 0.6 OUTLIER -155.27 -175.75 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.117 0.484 . . . . 0.0 112.231 -178.68 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.579 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 19.9 ptpt -119.05 139.38 51.83 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.641 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' 1563 ' ' LEU . 16.0 m -139.29 175.83 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.183 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.425 ' HB2' HD11 ' A' 1564 ' ' LEU . 11.2 t -146.02 124.28 12.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.729 HD13 ' HB2' ' A' 1561 ' ' ALA . 37.3 mm -62.8 144.89 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.684 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 82.3 p -131.55 -41.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.576 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 42.4 t -131.81 160.66 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.975 0.417 . . . . 0.0 111.329 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 73.0 mt -134.31 114.54 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.748 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1551 ' ' THR . . . . . 0.486 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 70.8 m -102.05 136.69 41.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.244 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 5.2 p -132.58 132.05 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.768 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -133.8 -54.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.976 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 7.4 p30 -145.22 -153.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.614 HG13 HG22 ' A' 1586 ' ' VAL . 52.4 t -53.54 -19.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.561 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.52 106.25 17.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' 1558 ' ' LYS . 31.8 t -81.54 155.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.616 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.779 ' HG2' HG22 ' A' 1583 ' ' ILE . 90.7 mttt -131.29 152.79 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 111.01 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -138.97 120.8 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.518 ' HB2' ' NZ ' ' A' 1560 ' ' LYS . 0.1 OUTLIER -97.18 106.81 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.226 179.52 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.729 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -118.07 170.79 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 111.641 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 8.2 m -114.38 135.29 54.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.974 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.928 ' HA ' HG12 ' A' 1545 ' ' VAL . 9.7 tp -77.46 95.5 4.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.4 mp -50.72 -50.76 54.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.565 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.69 ' O ' ' HB2' ' A' 1543 ' ' TYR . 12.8 t70 -164.58 154.77 14.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.871 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.788 HG12 HD21 ' A' 1563 ' ' LEU . 48.6 mt -104.88 125.93 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.538 ' HB2' ' O ' ' A' 1542 ' ' ALA . 83.7 m-85 -104.69 -23.62 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.724 ' HE2' ' HA ' ' A' 1535 ' ' CYS . 27.5 mtpp -149.49 122.67 8.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.437 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1569 ' ' THR . . . . . 0.586 HG22 ' H ' ' A' 1571 ' ' GLU . 4.5 m -45.96 155.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.127 0.489 . . . . 0.0 112.062 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.925 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -103.81 6.17 47.87 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.011 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.586 ' H ' HG22 ' A' 1569 ' ' THR . 14.0 mm-40 59.2 7.79 0.95 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.978 0.418 . . . . 0.0 110.737 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -138.76 81.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.542 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.452 ' O ' HG22 ' A' 1573 ' ' VAL . 7.3 p 41.17 39.93 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.847 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.594 ' HB1' HD13 ' A' 1566 ' ' ILE . . . -59.01 128.61 38.1 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.222 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.528 ' HB3' ' OG ' ' A' 1578 ' ' SER . 9.1 tp10 -142.07 156.4 45.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.973 0.416 . . . . 0.0 111.339 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -67.72 122.83 18.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.416 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.645 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.1 t70 63.96 51.21 2.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.05 0.452 . . . . 0.0 110.782 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.571 ' H ' ' HB3' ' A' 1563 ' ' LEU . 69.0 m -87.11 -170.22 2.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.599 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1579 ' ' GLU . . . . . 0.438 ' CD ' ' HD2' ' A' 1560 ' ' LYS . 9.0 tp10 -115.69 115.24 26.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.565 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.619 HD13 HG11 ' A' 1545 ' ' VAL . 37.4 pt -111.05 153.01 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.684 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.1 m -141.4 99.34 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.735 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.581 ' HE1' HD12 ' A' 1580 ' ' ILE . 56.9 m-85 -94.3 125.48 38.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 111.271 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.779 HG22 ' HG2' ' A' 1558 ' ' LYS . 42.0 pt -112.33 147.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.763 ' HB3' HD23 ' A' 1621 ' ' LEU . 21.8 pttm -145.72 -171.19 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -104.51 -177.03 3.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.643 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.614 HG22 HG13 ' A' 1555 ' ' VAL . 29.1 m -105.18 9.58 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.1 p -98.66 -0.93 41.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' 1512 ' ' ALA . 13.6 m -60.97 153.88 23.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 58.3 m -138.28 -29.9 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 17.6 m120 -108.8 0.43 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.089 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -121.42 111.92 17.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -149.94 105.54 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.758 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' 1593 ' ' LEU . 4.0 mp -91.13 158.83 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.47 HG12 ' OH ' ' A' 1599 ' ' TYR . 9.9 p -142.76 140.03 27.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 22.9 pttm -71.17 136.6 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 108.15 -22.64 26.88 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.678 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -99.37 169.83 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.977 0.418 . . . . 0.0 111.346 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -109.39 145.57 35.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.716 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.47 ' OH ' HG12 ' A' 1594 ' ' VAL . 98.1 m-85 -143.5 144.2 31.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.009 0.433 . . . . 0.0 111.415 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' 1601 ' ' ILE . 5.2 tt -95.12 134.68 37.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.746 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.623 ' N ' HD23 ' A' 1600 ' ' LEU . 69.3 mt -127.91 132.85 68.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.088 0.471 . . . . 0.0 112.19 -179.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.681 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 66.3 mtp -149.6 110.65 4.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.064 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.897 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.59 -164.27 31.24 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 119.803 -1.189 . . . . 0.0 113.681 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.508 ' HE3' ' HG3' ' A' 1538 ' ' GLU . 34.1 mmtp -46.25 157.09 0.14 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 122.545 0.338 . . . . 0.0 111.565 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -69.23 -171.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.201 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . -104.65 140.34 38.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' 1617 ' ' TYR . 89.0 mt -66.41 147.73 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.606 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -104.66 -11.61 16.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.709 ' HA ' ' HB2' ' A' 1615 ' ' PHE . 13.9 pt -122.58 97.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 0.0 111.567 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.899 ' HD3' HG12 ' A' 1618 ' ' ILE . 27.6 tptp -93.4 2.37 56.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.472 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 91.9 m-85 66.12 -172.29 0.19 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.715 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1612 ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' 1613 ' ' ALA . 27.3 t-20 62.59 110.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1613 ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' 1612 ' ' ASN . . . 74.87 -62.85 0.44 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.152 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 32.8 p -153.56 -79.27 0.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.841 0.353 . . . . 0.0 111.225 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.709 ' HB2' ' HA ' ' A' 1609 ' ' ILE . 48.3 p90 -174.28 153.12 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.715 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.693 ' H ' ' H ' ' A' 1610 ' ' LYS . 76.7 ttt180 -144.3 146.92 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.693 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1607 ' ' LEU . 2.3 m-85 -90.83 105.27 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.899 HG12 ' HD3' ' A' 1610 ' ' LYS . 2.8 pp -117.02 177.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.556 ' O ' ' HA ' ' A' 1582 ' ' PHE . 57.1 m-85 -128.09 128.72 23.73 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.191 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.44 157.72 22.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.666 2.244 . . . . 0.0 112.166 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.763 HD23 ' HB3' ' A' 1584 ' ' LYS . 48.7 tp -132.7 92.76 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.699 ' HB2' HD12 ' A' 1624 ' ' LEU . 10.2 m-20 -121.7 -167.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.706 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 77.5 p -78.8 -23.16 45.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.849 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.699 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -76.13 -8.6 57.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 -179.746 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.639 ' N ' HD13 ' A' 1624 ' ' LEU . 60.5 m -84.24 112.36 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.187 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.681 ' HB3' ' HB2' ' A' 1602 ' ' MET . 57.9 t-105 -64.28 119.72 10.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.746 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' 1600 ' ' LEU . 45.5 mm -126.81 120.58 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -134.95 115.27 13.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -54.05 134.23 43.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.745 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.434 ' CD1' HD11 ' A' 1643 ' ' LEU . 13.5 t-105 -106.03 101.77 35.74 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.646 ' HB2' HD13 ' A' 1643 ' ' LEU . 72.9 Cg_exo -48.7 118.86 3.69 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.679 2.252 . . . . 0.0 112.599 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -91.7 -0.1 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1633 ' ' ASP . . . . . 0.601 ' HB2' ' HB2' ' A' 1639 ' ' CYS . 9.9 m-20 -97.94 128.49 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.312 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 31.3 p -146.67 0.38 0.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 78.0 p -74.25 -35.63 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.305 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 83.9 m -122.14 148.62 44.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.1 t -67.56 97.7 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 45.7 t -167.61 -59.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.622 ' HB3' ' HB3' ' A' 1631 ' ' PRO . 83.5 m -95.85 -21.33 18.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -63.03 -26.07 68.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -58.33 -28.1 64.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.541 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 52.9 t80 -88.44 -30.84 19.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.759 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.768 HD12 HD12 ' A' 1646 ' ' LEU . 1.1 tp -75.91 -6.11 49.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -81.4 -33.45 32.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -80.2 -28.46 38.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.444 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.768 HD12 HD12 ' A' 1643 ' ' LEU . 95.9 mt -70.68 -31.02 67.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.527 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.16 -36.64 80.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.15 -49.4 77.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.604 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' 1653 ' ' ILE . 62.3 t80 -63.77 -34.96 79.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.765 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.97 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.208 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -103.69 -4.5 23.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.7 t70 -89.26 -18.21 27.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.96 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' 1649 ' ' PHE . 20.0 tt -112.01 -27.69 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.8 t80 -74.32 -46.02 43.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' 1655 ' ' LEU . 5.9 tt -78.51 -45.54 21.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.553 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.0 m-20 -85.63 -74.5 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.286 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.01 158.84 21.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.437 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.889 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.3 p -91.45 146.12 24.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.4 m80 -83.1 140.41 32.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 86.2 mtp -133.3 145.92 50.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -137.47 125.37 22.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.43 -67.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.999 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' 1588 ' ' CYS . 8.7 t 54.92 30.96 14.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.395 0.617 . . . . 0.0 110.287 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 123.84 55.93 0.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.048 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -52.47 132.19 34.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.869 0.366 . . . . 0.0 111.299 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' 1515 ' ' GLY . 66.3 mtt -128.96 133.5 47.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -61.82 150.25 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.29 172.48 2.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.08 119.25 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 90.3 mt 60.29 99.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.232 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.68 104.66 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.527 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.508 HD23 ' HD1' ' A' 1642 ' ' PHE . 65.6 mt -83.32 17.17 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 54.4 p -90.9 2.42 56.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.8 mt -123.87 138.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.0 m -89.64 167.71 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1527 ' ' ALA . . . . . 0.689 ' HA ' HH11 ' A' 1530 ' ' ARG . . . -70.22 -32.77 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.181 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -85.81 -2.79 58.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 91.8 m -74.71 -49.41 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.753 ' HD2' ' H ' ' A' 1530 ' ' ARG . 0.0 OUTLIER -83.02 -15.24 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.729 ' HE3' HD13 ' A' 1653 ' ' ILE . 21.2 tptm -68.32 -31.27 70.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.6 mm-40 -59.51 -15.48 18.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.692 HG22 HG13 ' A' 1539 ' ' ILE . 88.9 m -89.28 -41.55 12.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.926 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.42 ' HB2' ' CE ' ' A' 1602 ' ' MET . . . -67.6 -7.12 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.553 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 44.3 t -101.88 -17.27 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.113 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.9 mtmt -63.41 142.92 97.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.34 -30.4 87.61 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.599 2.2 . . . . 0.0 112.452 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.5 ' HG3' ' H ' ' A' 1539 ' ' ILE . 7.9 pt-20 -63.68 -55.72 21.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.692 HG13 HG22 ' A' 1533 ' ' THR . 41.5 mm -62.68 111.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.465 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -84.81 -58.35 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.483 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.42 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 2.0 p90 -105.91 156.95 17.85 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.303 0.573 . . . . 0.0 112.107 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.66 101.11 2.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.821 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.646 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.1 p90 -152.55 169.73 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.139 0.495 . . . . 0.0 111.976 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.675 ' HG2' HD12 ' A' 1564 ' ' LEU . 37.6 ttpt -99.64 140.15 34.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.409 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' 1563 ' ' LEU . 18.8 m -136.56 -177.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.979 0.419 . . . . 0.0 111.547 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.551 ' HB2' HD11 ' A' 1564 ' ' LEU . 20.8 t -155.04 120.92 5.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.602 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.594 HD13 ' HB2' ' A' 1561 ' ' ALA . 35.2 mm -56.7 134.74 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1548 ' ' THR . . . . . 0.499 ' O ' ' HE2' ' A' 1595 ' ' LYS . 39.1 p -129.19 -16.95 3.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.507 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 63.8 m -154.01 144.78 22.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 0.0 111.36 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.0 mt -137.54 128.76 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.832 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 63.3 m -133.68 141.21 47.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.5 p -123.93 140.09 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -107.8 -74.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.7 m120 -142.97 -73.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 39.3 t -102.42 -45.77 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -89.36 158.55 17.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 44.7 t -128.55 140.1 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.271 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.677 ' HD3' HG22 ' A' 1583 ' ' ILE . 23.0 mmtp -104.88 124.27 49.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.795 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' 1582 ' ' PHE . 96.3 m-85 -116.13 113.26 22.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.337 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' 1579 ' ' GLU . 18.9 mmtt -93.4 99.91 12.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -108.33 146.77 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.433 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 12.5 m -97.29 132.88 42.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.039 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.861 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.4 tt -73.14 101.48 3.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.431 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.675 HD12 ' HG2' ' A' 1544 ' ' LYS . 83.8 mt -57.93 -44.05 86.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.168 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.581 ' O ' ' HB2' ' A' 1543 ' ' TYR . 14.3 t70 -170.15 150.58 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.58 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.646 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 67.1 mt -97.2 138.16 22.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.575 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 43.7 m-85 -116.65 -20.13 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.0 tmtt? -155.55 99.79 2.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.252 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 89.5 m -40.84 141.81 0.54 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.301 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.772 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -90.34 132.65 11.39 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.012 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.64 -22.44 63.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.815 0.34 . . . . 0.0 110.955 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -73.18 -89.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.321 0.581 . . . . 0.0 110.798 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' 1573 ' ' VAL . 8.7 p -155.17 35.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.767 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.772 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -67.27 123.6 20.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' 1578 ' ' SER . 46.9 mt-10 -134.86 158.29 44.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 62.2 tttm -58.42 134.05 56.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.684 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.636 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.1 p30 44.88 36.26 1.82 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.603 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.545 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 79.0 p -82.65 -165.97 1.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1579 ' ' GLU . . . . . 0.5 ' HB3' ' NZ ' ' A' 1560 ' ' LYS . 42.6 mt-10 -121.41 122.92 40.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.792 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.771 HD11 HG11 ' A' 1545 ' ' VAL . 8.5 pt -125.73 136.9 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 9.1 m -110.85 105.96 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.632 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.656 ' HB3' HD11 ' A' 1621 ' ' LEU . 35.8 m-85 -102.64 119.76 39.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.282 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.677 HG22 ' HD3' ' A' 1558 ' ' LYS . 29.4 pt -102.2 149.52 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.952 0.406 . . . . 0.0 111.466 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' A' 1592 ' ' GLU . 36.6 ttpt -141.29 147.58 38.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.787 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.462 ' NZ ' ' HB2' ' A' 1585 ' ' LYS . 10.6 mtmp? -86.53 140.8 29.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.7 p -72.1 -7.12 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.023 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 75.8 p -76.84 -12.48 59.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.441 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' 1514 ' ' CYS . 56.6 m -66.85 178.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 0.0 111.015 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 74.9 m -145.8 -43.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 18.9 m120 -86.56 4.42 40.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -116.85 129.55 56.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1592 ' ' GLU . . . . . 0.445 ' HA ' ' NZ ' ' A' 1584 ' ' LYS . 40.9 tt0 -163.53 102.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' 1593 ' ' LEU . 4.4 mp -88.43 164.41 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.515 HG12 ' OH ' ' A' 1599 ' ' TYR . 12.2 p -144.42 146.7 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.499 ' HE2' ' O ' ' A' 1548 ' ' THR . 57.9 tttm -80.58 134.78 35.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 104.99 -16.02 47.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.714 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.419 ' HB2' HG13 ' A' 1594 ' ' VAL . 10.9 mpt_? -99.48 172.7 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.969 0.414 . . . . 0.0 111.376 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -114.41 146.98 39.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.819 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.515 ' OH ' HG12 ' A' 1594 ' ' VAL . 96.8 m-85 -142.08 127.54 18.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.287 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' 1543 ' ' TYR . 56.9 tp -82.78 107.79 15.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.985 179.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' A' 1582 ' ' PHE . 58.7 mt -95.2 132.96 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.266 0.555 . . . . 0.0 112.056 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.42 ' CE ' ' HB2' ' A' 1534 ' ' ALA . 61.8 mtp -147.55 107.98 4.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.802 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.583 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -158.42 -174.85 28.66 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.116 -1.04 . . . . 0.0 113.523 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.465 ' HA ' ' H ' ' A' 1540 ' ' ALA . 12.5 mtmt -62.31 -172.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.114 0.483 . . . . 0.0 111.495 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -74.71 148.17 40.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.436 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -74.45 152.4 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.52 HD23 ' HD3' ' A' 1620 ' ' PRO . 3.9 mm? -63.78 -168.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.654 ' C ' HD13 ' A' 1609 ' ' ILE . 22.9 pt20 -150.98 134.06 15.98 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.169 0.509 . . . . 0.0 111.826 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.825 ' HA ' ' HA ' ' A' 1616 ' ' ARG . 0.2 OUTLIER 38.29 -171.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.537 178.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.871 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 66.7 mttm -57.67 111.81 1.25 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.91 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -141.91 96.39 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 80.2 m-20 61.13 -83.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.289 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -97.49 -27.73 14.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 53.8 m -81.47 163.48 22.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.871 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 99.3 m-85 -144.94 25.97 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.729 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.825 ' HA ' ' HA ' ' A' 1609 ' ' ILE . 38.5 ptt180 164.52 178.56 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.453 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.58 ' HE1' HG23 ' A' 1609 ' ' ILE . 3.8 m-85 -72.03 84.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.798 0.333 . . . . 0.0 110.787 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.619 HG23 ' HG3' ' A' 1616 ' ' ARG . 43.5 pt -106.64 177.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 14.6 m-85 -125.73 114.58 24.8 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.808 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1620 ' ' PRO . . . . . 0.52 ' HD3' HD23 ' A' 1607 ' ' LEU . 73.5 Cg_endo -75.54 167.08 27.28 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.665 2.244 . . . . 0.0 112.826 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.656 HD11 ' HB3' ' A' 1582 ' ' PHE . 82.6 mt -145.62 100.19 3.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.76 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -114.94 -76.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.416 ' H ' ' H ' ' A' 1624 ' ' LEU . 73.1 p -169.18 -19.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' 1625 ' ' THR . 0.0 OUTLIER -73.96 -11.72 60.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.565 ' N ' HD13 ' A' 1624 ' ' LEU . 69.1 m -91.52 113.46 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -66.23 123.25 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 64.9 mt -124.45 126.84 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.792 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.36 113.21 10.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.862 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 74.8 t80 -55.22 134.71 49.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -104.6 106.83 56.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.607 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.658 ' HB2' HD11 ' A' 1643 ' ' LEU . 59.2 Cg_exo -51.88 109.88 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.527 2.151 . . . . 0.0 112.409 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -82.11 -30.97 30.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -72.51 114.37 10.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.8 p -135.17 10.71 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 60.2 p -141.49 76.71 1.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.9 t -124.88 -74.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 77.8 p -169.11 -61.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 38.1 t -113.8 8.13 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 5.1 t -72.21 -158.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.59 ' HA ' HD23 ' A' 1643 ' ' LEU . 36.1 tt0 55.85 85.71 0.07 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.942 0.401 . . . . 0.0 111.063 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -149.28 -33.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.756 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.508 ' HD1' HD23 ' A' 1523 ' ' LEU . 88.5 t80 -91.08 -20.78 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.679 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.6 mm? -67.97 -35.79 78.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.65 75.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -74.92 -19.21 60.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' 1643 ' ' LEU . 96.6 mt -79.97 -33.42 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -60.84 -32.33 71.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.678 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -66.38 -32.07 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.422 ' O ' HG22 ' A' 1653 ' ' ILE . 80.8 t80 -69.71 -28.01 65.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -67.09 -49.02 66.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.318 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -80.05 -4.39 52.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.123 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.531 ' O ' ' HB2' ' A' 1656 ' ' ASN . 18.5 t70 -95.58 -16.3 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.729 HD13 ' HE3' ' A' 1531 ' ' LYS . 6.9 tp -105.33 -28.81 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.035 0.445 . . . . 0.0 110.684 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.3 t80 -81.66 -44.3 17.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.29 -70.29 0.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' 1652 ' ' ASP . 12.1 m120 -58.04 -59.35 5.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.513 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 60.14 42.31 98.5 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.384 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.224 -179.716 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 79.2 p -146.96 -51.67 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.79 0.329 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -130.48 157.3 43.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.5 mmt 57.71 -166.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.989 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -129.73 151.76 49.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.636 ' O ' ' HB3' ' A' 1590 ' ' ASN . 3.7 p-10 -91.66 -24.06 19.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.414 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.611 ' HB2' ' HA ' ' A' 1588 ' ' CYS . 12.0 t 53.73 -153.9 0.26 Allowed 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . -61.88 80.63 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.158 -1.02 . . . . 0.0 111.377 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' 1514 ' ' CYS . 3.5 pp0? -47.22 139.23 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 111.119 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.54 ' HG2' ' HB ' ' A' 1627 ' ' ILE . 63.9 mtt -124.38 141.84 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -81.94 171.21 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.34 176.06 1.96 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.97 -85.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 74.6 mt -105.98 99.76 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -147.94 96.68 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.598 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 36.1 mt -70.69 100.56 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1524 ' ' THR . . . . . 0.401 ' H ' ' H ' ' A' 1525 ' ' ILE . 7.5 t -168.47 -21.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.401 ' H ' ' H ' ' A' 1524 ' ' THR . 64.9 mt -89.78 133.44 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.5 t -77.03 157.71 30.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.42 -14.8 58.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -87.44 -33.89 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 46.2 m -59.22 -25.19 63.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -91.08 -41.09 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.55 ' HD3' ' O ' ' A' 1531 ' ' LYS . 11.8 tmtt? -61.87 -37.84 86.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.066 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' 1528 ' ' GLU . 30.3 mm-40 -58.97 -17.84 28.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.781 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.689 ' HA ' ' HG3' ' A' 1536 ' ' LYS . 37.6 m -85.97 -26.84 25.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -70.75 1.82 4.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.454 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 39.5 t -126.91 -3.72 6.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.689 ' HG3' ' HA ' ' A' 1533 ' ' THR . 98.4 mttt -64.28 151.2 91.33 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.38 -27.65 47.2 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.54 2.16 . . . . 0.0 112.236 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.427 ' O ' HD13 ' A' 1539 ' ' ILE . 11.5 pt-20 -85.55 9.52 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.777 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.512 HD12 ' HA2' ' A' 1603 ' ' GLY . 34.8 mm -124.85 120.44 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -90.55 -61.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.726 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.935 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.6 p90 -108.28 159.71 16.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.282 0.563 . . . . 0.0 112.206 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.579 ' HA ' ' HG2' ' A' 1602 ' ' MET . . . -144.96 90.6 2.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.815 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.803 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.2 p90 -144.28 -171.85 3.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.257 0.551 . . . . 0.0 112.068 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -132.81 132.42 42.17 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.029 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.858 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.9 m -127.86 -177.35 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.068 0.461 . . . . 0.0 111.724 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 22.5 t -141.77 123.64 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.483 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.444 HD11 HD13 ' A' 1593 ' ' LEU . 38.3 mm -61.3 135.83 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 44.2 p -132.42 -31.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.25 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.591 ' HA ' ' HE2' ' A' 1595 ' ' LYS . 73.4 m -140.73 141.34 34.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 72.4 mt -131.51 125.48 56.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.849 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.3 m -128.68 136.74 51.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.604 HG22 HG23 ' A' 1557 ' ' VAL . 38.2 t -118.12 128.73 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.051 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -90.71 -68.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1554 ' ' ASN . . . . . 0.502 ' ND2' HG23 ' A' 1555 ' ' VAL . 10.5 t30 -163.37 -71.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.874 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.502 HG23 ' ND2' ' A' 1554 ' ' ASN . 39.7 t -99.94 -43.01 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -101.73 112.25 24.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.796 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.604 HG23 HG22 ' A' 1552 ' ' VAL . 10.1 p -84.94 151.36 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.458 ' HB2' ' NZ ' ' A' 1558 ' ' LYS . 10.5 mtmp? -124.81 149.65 47.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.383 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -133.29 106.82 7.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.435 ' HG2' HG23 ' A' 1581 ' ' THR . 60.9 mttp -88.08 121.65 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -136.79 167.39 21.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.33 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.9 m -104.57 141.29 36.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.184 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.858 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.4 mt -73.63 124.65 26.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.974 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.8 mp -88.48 -35.68 16.88 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.315 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.5 t70 -174.29 130.46 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.803 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 68.5 mt -103.9 120.32 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.818 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -92.68 -25.57 18.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.353 0.597 . . . . 0.0 109.647 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 62.2 tttp -141.13 116.84 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.56 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 20.3 m -45.88 149.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 111.916 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.935 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -86.56 16.81 43.12 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.969 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 55.99 9.42 0.46 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.2 0.524 . . . . 0.0 110.26 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -136.4 -148.14 0.28 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.8 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.472 ' O ' HG22 ' A' 1573 ' ' VAL . 7.7 p -77.96 34.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.206 0.527 . . . . 0.0 111.272 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.71 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -82.48 125.29 30.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.257 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.403 ' C ' HD12 ' A' 1566 ' ' ILE . 15.8 mm-40 -148.58 163.11 38.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.047 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 61.1 tttm -52.96 106.52 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.694 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.7 t70 64.83 82.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.857 ' H ' ' HB2' ' A' 1563 ' ' LEU . 54.8 m -129.18 -174.33 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.407 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -108.72 115.09 29.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 110.431 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.701 HD11 HG11 ' A' 1545 ' ' VAL . 8.9 pt -127.22 137.49 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.442 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1581 ' ' THR . . . . . 0.468 HG21 ' NH2' ' A' 1616 ' ' ARG . 35.1 m -115.42 113.62 23.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.072 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.457 ' HE1' HD12 ' A' 1580 ' ' ILE . 39.9 m-85 -87.65 174.15 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.689 HG23 ' HA ' ' A' 1620 ' ' PRO . 9.0 tt -153.95 107.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.793 ' HB2' HD12 ' A' 1621 ' ' LEU . 39.0 ttpt -96.15 148.78 22.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.454 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 75.9 mmtt -75.28 -177.77 3.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' 1555 ' ' VAL . 9.7 p -99.31 -27.2 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 69.6 p -72.45 -10.99 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.611 ' HA ' ' HB2' ' A' 1514 ' ' CYS . 57.3 m -60.43 121.83 13.07 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1589 ' ' THR . . . . . 0.473 ' O ' HG22 ' A' 1589 ' ' THR . 8.8 m -121.23 7.1 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.403 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.636 ' HB3' ' O ' ' A' 1513 ' ' ASP . 2.9 t-20 -130.11 -21.73 2.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.178 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -89.07 122.45 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.286 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.59 142.61 23.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.444 HD13 HD11 ' A' 1547 ' ' ILE . 93.8 mt -132.56 163.49 28.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.75 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 59.2 t -132.41 140.04 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.834 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.3 ttmt -72.76 125.81 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 103.36 -5.53 48.89 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.734 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.75 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 90.8 mtt180 -101.0 173.11 6.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.058 0.456 . . . . 0.0 111.396 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -120.97 137.2 54.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.75 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -139.41 145.86 39.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.442 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' 1627 ' ' ILE . 51.5 tp -90.63 120.01 31.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.912 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.559 HG22 ' HE1' ' A' 1541 ' ' TYR . 61.7 mt -114.84 134.58 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.066 0.46 . . . . 0.0 112.015 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.579 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 66.8 mtp -148.87 111.49 4.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.111 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.512 ' HA2' HD12 ' A' 1539 ' ' ILE . . . 178.47 -169.61 41.31 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.083 -1.056 . . . . 0.0 113.294 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.495 ' HB3' ' NZ ' ' A' 1604 ' ' LYS . 4.2 mmmp? -50.61 154.99 1.19 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.902 0.382 . . . . 0.0 111.551 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 13.6 pt-20 -78.3 -169.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.245 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.427 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -85.12 156.77 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.084 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' 1617 ' ' TYR . 3.8 mm? -88.5 130.08 35.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.485 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 64.8 tt0 -66.93 -9.73 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.728 HG22 ' HD1' ' A' 1615 ' ' PHE . 14.6 pt -149.44 81.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.119 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.457 ' HB3' HG13 ' A' 1618 ' ' ILE . 26.8 tptp -108.03 -6.96 16.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.788 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1611 ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' 1614 ' ' SER . 0.5 OUTLIER -89.27 173.13 8.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.62 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -67.57 -43.69 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.041 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -165.29 -8.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1614 ' ' SER . . . . . 0.465 ' HB3' ' CD2' ' A' 1611 ' ' TYR . 47.5 t -83.02 -9.86 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.728 ' HD1' HG22 ' A' 1609 ' ' ILE . 55.6 m-85 64.98 136.56 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.514 ' HD3' HD11 ' A' 1618 ' ' ILE . 75.2 ttt180 -169.33 136.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.485 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 1.9 m-85 -87.93 94.82 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.232 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.514 HD11 ' HD3' ' A' 1616 ' ' ARG . 1.7 mt -112.44 148.75 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 111.34 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 53.7 m-85 -102.11 104.54 37.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.65 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1620 ' ' PRO . . . . . 0.689 ' HA ' HG23 ' A' 1583 ' ' ILE . 54.4 Cg_endo -68.12 171.54 12.41 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.495 2.13 . . . . 0.0 112.137 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.793 HD12 ' HB2' ' A' 1584 ' ' LYS . 94.7 mt -136.81 96.83 3.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.487 ' HB2' ' HG ' ' A' 1624 ' ' LEU . 10.0 m-20 -118.95 -178.99 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.584 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' 1514 ' ' CYS . 56.0 p -61.82 -10.27 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' 1622 ' ' ASP . 2.2 pp -90.52 10.26 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.5 m -107.3 137.05 46.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.996 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' A' 1601 ' ' ILE . 65.2 t-105 -103.9 115.44 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.54 ' HB ' ' HG2' ' A' 1517 ' ' MET . 68.7 mt -132.11 118.26 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -128.1 141.2 51.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.57 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 58.4 t80 -65.59 136.18 56.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -109.51 112.96 58.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.55 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.529 ' HB2' HD21 ' A' 1643 ' ' LEU . 55.3 Cg_exo -52.5 116.45 2.86 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.592 2.194 . . . . 0.0 112.316 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -84.75 -31.92 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.045 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.16 113.19 15.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.541 ' HB ' HE21 ' A' 1640 ' ' GLN . 68.6 p -142.59 8.44 1.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 5.0 t -59.26 -41.0 87.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.282 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.42 ' O ' ' HG3' ' A' 1640 ' ' GLN . 29.5 p -97.46 150.36 21.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 43.0 t -74.99 -1.48 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 80.1 p -98.94 12.3 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.996 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 24.1 t -141.57 24.28 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.844 ' HA ' HD23 ' A' 1643 ' ' LEU . 28.7 mt-30 -119.28 16.06 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.18 -53.54 43.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 62.8 t80 -65.71 -31.48 72.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.844 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -69.81 -22.96 63.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.747 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.93 63.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.06 -23.28 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.57 -23.38 32.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.31 -40.63 96.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.6 -18.09 62.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.701 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.507 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 58.7 t80 -84.61 -39.6 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.072 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.18 13.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.413 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.17 -31.82 70.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.326 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.75 -68.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.447 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.539 HD13 ' HE2' ' A' 1531 ' ' LYS . 7.9 tp -55.97 -30.13 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.73 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 58.5 t80 -76.66 -48.82 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.931 0.396 . . . . 0.0 111.352 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.03 -67.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.107 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -61.41 -74.78 0.08 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.394 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 76.37 157.17 7.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.357 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1658 ' ' CYS . . . . . 0.517 ' HB2' ' NZ ' ' A' 1531 ' ' LYS . 49.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.3 p -99.39 -1.75 37.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 14.5 p80 -135.65 161.59 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 25.5 ptm -145.95 153.91 41.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -120.37 174.44 6.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.78 34.94 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' 1588 ' ' CYS . 3.6 p -48.06 120.8 3.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.388 . . . . 0.0 110.438 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 74.89 34.9 51.88 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.67 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.596 ' HG3' ' HA ' ' A' 1623 ' ' SER . 4.2 pp0? -54.32 160.14 1.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.19 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 15.5 ptp -135.51 138.47 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -71.26 178.19 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.92 153.29 29.63 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1520 ' ' GLU . . . . . 0.505 ' HG3' ' HD2' ' A' 1629 ' ' TYR . 41.0 tt0 -71.61 -33.7 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 93.4 mt -147.7 105.21 3.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -142.66 129.52 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 90.3 mt -91.89 10.97 26.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 72.3 p -77.13 -9.52 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 65.4 mt -111.77 129.41 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.5 m -103.15 -178.19 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -85.42 0.18 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.9 mt-10 -105.31 -52.91 2.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 34.5 m -62.5 -19.5 63.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -95.13 -25.49 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.3 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.529 ' HD3' ' O ' ' A' 1531 ' ' LYS . 3.3 tmtp? -81.79 -45.3 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' 1528 ' ' GLU . 17.0 mm-40 -54.49 -26.17 29.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.784 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.794 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 91.8 m -81.54 -33.17 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -69.69 -9.87 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.2 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 50.7 t -98.43 -25.31 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.794 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.3 mtmt -63.1 155.14 74.7 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1537 ' ' PRO . . . . . 0.455 ' HG2' ' OE1' ' A' 1538 ' ' GLU . 29.0 Cg_endo -63.2 -12.26 29.32 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.483 2.122 . . . . 0.0 112.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.455 ' OE1' ' HG2' ' A' 1537 ' ' PRO . 0.3 OUTLIER -69.27 -22.87 63.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.451 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.585 HG21 ' HG2' ' A' 1602 ' ' MET . 13.4 mm -118.84 111.39 33.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.416 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -79.3 -53.28 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.001 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.477 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 3.3 p90 -116.76 155.86 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 111.589 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.41 ' HB3' ' CB ' ' A' 1568 ' ' LYS . . . -145.82 100.58 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.086 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.761 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 12.6 p90 -150.84 -179.07 6.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.293 0.568 . . . . 0.0 112.013 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' 1564 ' ' LEU . 60.2 tttm -123.08 136.95 55.02 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.484 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.826 HG12 ' HA ' ' A' 1563 ' ' LEU . 11.6 m -132.56 -175.91 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 18.0 t -145.5 127.86 15.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.5 mm -66.6 137.6 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1548 ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' 1561 ' ' ALA . 4.2 t -130.38 -18.02 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.465 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.828 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 49.5 m -152.04 144.34 24.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.521 HG13 ' HB3' ' A' 1595 ' ' LYS . 77.3 mt -131.25 138.15 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.2 m -135.38 109.03 7.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 33.7 t -95.77 122.68 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1553 ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' 1556 ' ' PHE . 38.7 tt0 -106.62 163.49 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1554 ' ' ASN . . . . . 0.408 ' N ' ' HG2' ' A' 1553 ' ' GLU . 34.4 m-80 -58.3 -18.52 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.331 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 71.8 t -126.41 -76.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.415 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.454 ' O ' ' HB3' ' A' 1553 ' ' GLU . 97.0 m-85 -82.73 178.19 8.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.348 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.561 ' HB ' ' HG2' ' A' 1584 ' ' LYS . 11.8 t -136.59 111.66 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' 1558 ' ' LYS . 0.8 OUTLIER -90.42 124.11 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.674 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.479 ' HE2' ' HE3' ' A' 1584 ' ' LYS . 37.3 m-85 -114.41 114.76 26.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.89 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.828 ' HB3' ' HB2' ' A' 1549 ' ' SER . 42.6 tptt -97.98 115.53 28.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.428 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' 1548 ' ' THR . . . -135.62 165.79 24.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 0.0 111.541 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -114.87 135.52 54.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.852 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.826 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.3 tt -70.25 134.5 48.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.597 HD13 ' HA ' ' A' 1545 ' ' VAL . 8.9 mp -91.8 -50.55 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.788 0.328 . . . . 0.0 110.813 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.3 t70 -164.61 141.22 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.644 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.761 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.0 mt -99.18 121.99 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 111.922 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.623 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 95.5 m-85 -93.74 -19.68 20.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.558 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.41 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 6.9 tmtm? -149.72 110.21 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.685 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 88.2 m -43.69 145.51 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.1 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.816 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -103.84 135.17 12.26 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.311 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.79 -30.33 63.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.708 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -84.95 56.94 4.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.284 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' 1573 ' ' VAL . 7.4 p 38.68 75.27 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.689 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.816 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -93.72 137.04 33.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.583 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -139.98 143.68 36.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.695 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.37 129.02 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.725 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.716 ' HA ' ' O ' ' A' 1563 ' ' LEU . 16.3 t70 64.39 38.7 7.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.464 ' H ' ' HB3' ' A' 1563 ' ' LEU . 24.4 t -87.44 -167.25 1.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.473 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -110.74 129.94 55.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.654 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.747 HD12 ' HE1' ' A' 1582 ' ' PHE . 35.9 pt -128.26 145.02 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.581 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 21.9 m -137.27 100.91 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.826 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.747 ' HE1' HD12 ' A' 1580 ' ' ILE . 81.6 m-85 -93.2 121.01 34.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.021 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' 1557 ' ' VAL . 41.1 pt -112.27 144.71 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.608 ' HE2' HD13 ' A' 1621 ' ' LEU . 19.5 ptpt -141.88 -169.08 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.528 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.2 OUTLIER -109.2 176.92 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.687 179.537 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.1 p -78.01 -25.57 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.301 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.1 p -75.51 -8.84 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.39 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.606 ' HB2' ' HD3' ' A' 1584 ' ' LYS . 17.9 m -81.99 35.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.132 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 37.8 m -59.91 -22.43 62.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -54.76 -30.31 56.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -103.0 120.94 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.78 99.51 4.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' 1593 ' ' LEU . 3.9 mp -95.71 174.99 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.589 ' HB ' ' HD3' ' A' 1597 ' ' ARG . 49.1 t -133.4 136.4 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.521 ' HB3' HG13 ' A' 1550 ' ' ILE . 13.3 ptmm? -70.03 116.3 10.24 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 117.18 -8.07 16.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.589 ' HD3' ' HB ' ' A' 1594 ' ' VAL . 10.6 mpt_? -94.56 173.3 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.411 . . . . 0.0 111.18 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.605 ' HG3' HH21 ' A' 1632 ' ' ARG . 96.6 mt-30 -112.58 133.47 54.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -133.54 149.97 51.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.364 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' 1601 ' ' ILE . 2.2 tm? -95.82 130.82 42.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.984 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.794 HD13 HG22 ' A' 1545 ' ' VAL . 2.2 mp -120.84 131.78 72.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.029 0.443 . . . . 0.0 111.354 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.585 ' HG2' HG21 ' A' 1539 ' ' ILE . 3.7 ttp -152.7 129.19 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.442 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.567 ' N ' HG23 ' A' 1539 ' ' ILE . . . 163.0 -168.93 38.0 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 119.937 -1.125 . . . . 0.0 113.494 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -53.87 154.85 3.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.853 0.358 . . . . 0.0 111.201 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.55 172.57 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -80.93 -177.57 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.32 -171.91 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -170.47 119.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.423 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.623 ' HB ' ' HB3' ' A' 1615 ' ' PHE . 1.1 mt -115.49 -34.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' 1615 ' ' PHE . 25.3 ttpp 179.92 -114.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.494 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 23.9 p90 177.3 106.74 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.997 0.427 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1612 ' ' ASN . . . . . 0.428 HD21 ' HA ' ' A' 1612 ' ' ASN . 0.2 OUTLIER -178.71 -80.03 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.946 179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -158.32 -37.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.9 t -101.3 -15.81 17.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.456 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.623 ' HB3' ' HB ' ' A' 1609 ' ' ILE . 39.0 m-85 -132.99 116.86 16.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.317 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1616 ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 179.21 -166.84 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.907 0.384 . . . . 0.0 111.098 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -80.2 115.33 19.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 44.7 pt -135.26 142.79 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' 1582 ' ' PHE . 49.3 m-85 -93.81 127.45 45.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.159 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -80.61 -177.66 3.91 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.619 2.213 . . . . 0.0 112.414 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.608 HD13 ' HE2' ' A' 1584 ' ' LYS . 74.1 mt -145.74 99.62 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.778 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -126.57 -171.63 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.596 ' HA ' ' HG3' ' A' 1516 ' ' GLN . 79.1 p -75.2 -5.28 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.5 pp -92.85 -31.69 14.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.685 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.454 ' O ' HG12 ' A' 1627 ' ' ILE . 39.0 m -58.1 98.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.028 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -61.79 109.93 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' 1625 ' ' THR . 49.6 mm -113.14 134.73 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.757 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.413 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 0.7 OUTLIER -147.32 100.23 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.953 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.533 ' O ' ' HD3' ' A' 1631 ' ' PRO . 43.3 t80 -58.0 120.44 8.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -89.19 106.8 14.62 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.264 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.758 ' HB2' HD21 ' A' 1643 ' ' LEU . 52.1 Cg_exo -52.51 99.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.505 2.137 . . . . 0.0 112.528 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.605 HH21 ' HG3' ' A' 1598 ' ' GLN . 28.0 ttm180 -62.26 -36.0 80.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.723 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1633 ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' 1636 ' ' CYS . 14.7 t70 -68.65 117.12 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.846 HG22 HD13 ' A' 1643 ' ' LEU . 30.3 p -133.08 -13.23 2.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 9.8 t -94.75 12.78 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.276 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.508 ' HB3' ' OD1' ' A' 1633 ' ' ASP . 52.0 t -128.99 121.15 27.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 36.1 t 61.06 176.12 0.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.4 p -87.81 46.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 85.0 m -81.61 16.86 1.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' 1643 ' ' LEU . 9.0 mt-30 -81.67 4.04 23.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.0 -62.19 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 80.6 t80 -73.98 -6.54 48.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.434 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.846 HD13 HG22 ' A' 1634 ' ' THR . 49.7 mt -95.65 5.29 51.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.843 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -103.31 -48.0 4.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -62.27 -30.17 70.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.736 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.13 -30.86 70.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.63 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.0 -30.95 71.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.61 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1648 ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' 1652 ' ' ASP . 13.4 mm-40 -80.16 3.08 21.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.737 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.43 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 83.4 t80 -118.06 -29.56 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.679 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -63.85 -65.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -72.15 -12.68 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.975 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' 1648 ' ' GLU . 17.2 t70 -66.85 -70.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.522 HD12 ' HE3' ' A' 1531 ' ' LYS . 17.3 tt -62.94 -28.0 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.964 0.411 . . . . 0.0 110.834 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.3 t80 -63.95 -50.59 68.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.713 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.438 HD23 ' C ' ' A' 1655 ' ' LEU . 6.8 tt -83.82 -64.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.487 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -60.65 -74.67 0.07 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 71.65 136.81 0.18 Allowed Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.476 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.858 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.1 t -140.61 105.22 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -131.59 117.31 18.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.783 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 25.7 ptm -116.25 144.31 44.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -134.24 -170.11 2.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' 1590 ' ' ASN . 9.0 m-20 -108.08 -47.22 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.241 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' 1516 ' ' GLN . 0.7 OUTLIER 54.33 -146.71 0.54 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.157 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.513 ' HA2' ' C ' ' A' 1622 ' ' ASP . . . -55.55 82.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.298 -0.953 . . . . 0.0 111.518 178.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' 1514 ' ' CYS . 64.3 tt0 -43.11 129.72 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.928 0.394 . . . . 0.0 111.586 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 26.2 mmt -120.34 141.04 50.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.847 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.83 153.82 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.65 147.88 50.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -84.12 149.08 26.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' 1631 ' ' PRO . 8.1 mp 54.56 29.95 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.338 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.91 74.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.88 91.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.227 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.3 t -176.37 -11.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.798 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.61 130.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 49.8 m -73.06 165.66 24.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -72.38 -10.59 59.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.9 mt-10 -107.35 -26.65 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 43.5 m -58.79 -24.83 62.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.738 HH22 HD23 ' A' 1646 ' ' LEU . 50.2 ttp180 -104.19 -34.12 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.674 ' HE3' HD13 ' A' 1653 ' ' ILE . 21.3 tptm -64.92 -34.41 78.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 1528 ' ' GLU . 47.1 mt-30 -57.52 -17.35 13.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.054 0.454 . . . . 0.0 110.372 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.637 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 97.0 m -83.85 -42.35 16.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.687 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.46 ' HB2' ' CE ' ' A' 1602 ' ' MET . . . -66.23 -24.11 66.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.346 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 48.7 t -82.82 -5.45 58.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.049 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.637 ' HE2' ' HA ' ' A' 1533 ' ' THR . 52.2 mtmt -77.49 149.04 77.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.64 -9.96 27.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.562 2.175 . . . . 0.0 112.26 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.58 ' HB2' ' HZ2' ' A' 1604 ' ' LYS . 11.0 pt-20 -87.54 -3.51 58.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.487 HD12 ' HA2' ' A' 1603 ' ' GLY . 41.0 mm -117.14 102.85 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.407 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -74.03 -57.78 3.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.62 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.499 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -113.69 159.13 20.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.411 0.624 . . . . 0.0 112.105 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.539 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -151.85 104.01 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.676 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.749 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.4 OUTLIER -149.63 -177.6 5.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.147 0.499 . . . . 0.0 112.227 -178.74 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.569 ' HA ' HD22 ' A' 1600 ' ' LEU . 14.5 tmtt? -111.89 122.16 47.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.656 HG11 HD11 ' A' 1580 ' ' ILE . 37.7 t -119.58 170.77 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.939 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.638 ' N ' HG12 ' A' 1545 ' ' VAL . 20.8 t -150.05 119.12 6.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.386 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.627 HD13 ' HB2' ' A' 1561 ' ' ALA . 33.6 mm -56.28 141.62 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.025 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 34.7 p -129.65 -18.22 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.7 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 68.5 m -150.55 154.83 38.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.342 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.424 HG12 ' HB2' ' A' 1595 ' ' LYS . 42.1 mm -121.76 138.5 51.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.845 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 59.6 m -123.57 121.29 35.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.194 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 86.5 t -109.48 133.92 53.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1553 ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' 1556 ' ' PHE . 8.9 tp10 -141.28 7.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.537 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 70.24 -75.49 0.07 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 52.9 t -61.56 -67.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.98 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' 1553 ' ' GLU . 15.7 m-85 -109.7 102.86 11.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.003 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 62.1 t -84.37 137.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.79 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.615 ' HG2' HG22 ' A' 1583 ' ' ILE . 59.4 mttm -125.79 157.33 37.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.14 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.423 ' CD2' HD12 ' A' 1593 ' ' LEU . 95.1 m-85 -135.29 133.82 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.7 ' HB3' ' HB2' ' A' 1549 ' ' SER . 22.7 tptm -95.58 116.82 29.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.627 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -122.49 152.76 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 111.557 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1562 ' ' THR . . . . . 0.562 ' C ' HG13 ' A' 1545 ' ' VAL . 2.4 m -115.66 117.08 29.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.833 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.786 HD21 HG12 ' A' 1566 ' ' ILE . 11.0 tp -66.49 103.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.164 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' 1546 ' ' SER . 4.4 mm? -63.91 -53.89 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.639 0.257 . . . . 0.0 111.59 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.9 t70 -149.47 154.1 38.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.153 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.786 HG12 HD21 ' A' 1563 ' ' LEU . 54.1 mt -103.38 138.5 27.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.005 0.431 . . . . 0.0 111.84 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.493 ' HB3' HG21 ' A' 1653 ' ' ILE . 31.7 m-85 -113.76 -20.04 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.539 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 65.1 tttm -153.02 104.47 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.537 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 63.1 m -40.41 144.43 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.187 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.816 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -97.58 130.5 10.26 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.39 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -58.61 -27.3 64.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 110.664 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -90.83 41.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.528 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 69.2 t 57.53 92.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.257 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.816 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -116.5 128.11 55.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.429 ' C ' HD11 ' A' 1566 ' ' ILE . 19.0 mm-40 -127.85 151.47 49.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.008 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -68.12 136.02 53.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.529 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.48 ' HA ' ' O ' ' A' 1563 ' ' LEU . 15.5 t70 63.0 24.41 14.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.054 0.454 . . . . 0.0 110.509 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 28.2 t -76.96 -167.99 0.97 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.523 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -120.09 127.08 52.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.466 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.676 HD12 ' HE1' ' A' 1582 ' ' PHE . 29.9 pt -136.2 144.09 34.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.969 0.414 . . . . 0.0 111.836 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 25.3 m -120.93 133.14 55.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.665 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.676 ' HE1' HD12 ' A' 1580 ' ' ILE . 29.6 m-85 -122.71 109.35 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.244 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.615 HG22 ' HG2' ' A' 1558 ' ' LYS . 34.7 pt -87.87 168.27 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.586 ' HB2' HD23 ' A' 1621 ' ' LEU . 5.5 tmmm? -169.91 144.36 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 111.136 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.519 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -83.65 133.74 34.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.931 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.9 p -57.95 -15.56 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.2 p -60.18 -14.49 17.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.433 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 63.5 m -62.12 159.14 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 56.2 p -139.79 1.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' 1513 ' ' ASP . 53.1 t30 -135.04 -24.98 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -80.97 113.39 19.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -143.36 138.09 29.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.759 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.423 HD12 ' CD2' ' A' 1559 ' ' TYR . 87.9 mt -125.48 153.03 44.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.681 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 61.9 t -127.19 142.44 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.424 ' HB2' HG12 ' A' 1550 ' ' ILE . 39.3 ttpt -78.21 142.54 37.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.37 75.6 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.613 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.681 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 81.7 mtt180 -95.8 158.75 15.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.985 0.421 . . . . 0.0 111.367 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.544 ' HB3' ' HE2' ' A' 1544 ' ' LYS . 72.0 mt-30 -97.77 119.53 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.669 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -116.2 129.9 56.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.088 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 1.0 OUTLIER -86.61 131.49 34.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.38 178.783 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.575 ' N ' HD13 ' A' 1600 ' ' LEU . 76.4 mt -124.11 132.72 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.46 ' CE ' ' HB2' ' A' 1534 ' ' ALA . 69.2 mtp -149.16 113.08 5.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.986 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.487 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -175.46 -158.17 18.61 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.645 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.58 ' HZ2' ' HB2' ' A' 1538 ' ' GLU . 47.3 mmtm -54.81 -177.36 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 111.842 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 10.1 pt-20 -99.58 55.82 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.178 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . 58.09 -175.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.382 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.402 ' HG ' ' HG3' ' A' 1620 ' ' PRO . 98.5 mt -121.24 94.6 4.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.549 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 45.1 mt-30 -64.59 115.1 4.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.12 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.657 HD12 ' HD1' ' A' 1615 ' ' PHE . 14.2 pt -141.94 12.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.959 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 1.7 tmtp? -54.22 99.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.997 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -148.21 -13.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1612 ' ' ASN . . . . . 0.518 ' HB2' ' HD2' ' A' 1615 ' ' PHE . 35.6 m-80 -143.32 -169.04 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.711 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -89.2 13.32 13.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.3 p -134.53 7.34 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.657 ' HD1' HD12 ' A' 1609 ' ' ILE . 61.6 m-85 -133.02 157.26 45.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.606 ' HG3' HG23 ' A' 1618 ' ' ILE . 16.1 ptm180 176.28 -154.53 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.847 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.465 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 35.3 m-85 -81.54 28.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.732 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.606 HG23 ' HG3' ' A' 1616 ' ' ARG . 28.2 pt -55.97 143.71 8.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' 1582 ' ' PHE . 30.1 m-85 -94.79 131.86 29.66 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.197 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1620 ' ' PRO . . . . . 0.402 ' HG3' ' HG ' ' A' 1607 ' ' LEU . 89.3 Cg_endo -78.61 -168.71 0.65 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.693 2.262 . . . . 0.0 112.153 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' 1584 ' ' LYS . 43.9 tp -160.98 104.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.552 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 11.0 m-20 -135.41 -162.41 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' 1514 ' ' CYS . 66.2 p -86.22 -24.63 25.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.716 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' 1625 ' ' THR . 1.8 pt? -67.08 -38.07 85.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.842 0.353 . . . . 0.0 111.004 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.623 ' H ' HD23 ' A' 1624 ' ' LEU . 35.2 m -70.2 119.86 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -66.06 130.37 43.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.07 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 67.9 mt -132.33 129.97 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.665 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.594 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 9.4 tp10 -128.93 154.2 46.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.977 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.548 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 62.5 t80 -98.19 135.24 40.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.777 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.481 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 2.6 t-105 -109.31 103.09 51.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.762 ' HB3' HD11 ' A' 1521 ' ' LEU . 8.7 Cg_endo -50.69 109.12 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.81 2.34 . . . . 0.0 112.247 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.546 ' HD3' ' HA ' ' A' 1597 ' ' ARG . 85.0 mtm180 -56.18 -50.24 71.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.8 133.44 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 70.1 p -123.01 5.55 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 75.8 p -125.03 66.98 1.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 83.2 m -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 79.6 p -163.4 -52.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.1 p -162.89 4.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 27.7 p -119.44 -175.12 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.84 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 13.1 mm100 -106.25 -41.58 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.993 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1641 ' ' ALA . . . . . 0.542 ' O ' HD22 ' A' 1643 ' ' LEU . . . 68.1 99.91 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.43 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.631 ' HB3' ' HG3' ' A' 1631 ' ' PRO . 56.4 t80 74.75 -29.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.816 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.84 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.0 mm? -70.4 -4.36 22.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -87.23 -30.17 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -83.46 -21.22 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.738 HD23 HH22 ' A' 1530 ' ' ARG . 97.8 mt -77.81 -30.58 51.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.89 -35.03 79.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.574 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1648 ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' 1652 ' ' ASP . 44.9 mt-10 -73.27 -24.05 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.755 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' 1653 ' ' ILE . 89.4 t80 -91.86 -21.55 20.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.6 -67.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.357 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.01 -7.21 39.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.088 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' 1648 ' ' GLU . 20.4 t70 -75.63 -70.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.731 HD12 ' HA2' ' A' 1657 ' ' GLY . 7.3 tp -61.03 -24.79 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 110.834 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 61.7 t80 -74.02 -55.05 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.034 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 40.5 tp -81.63 -63.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -64.26 -71.5 0.17 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.117 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.731 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 66.38 -176.38 18.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.563 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 54.4 m 59.83 99.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 47.6 t60 -71.89 128.16 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.2 tpt -154.13 120.34 5.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -141.87 136.11 30.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.532 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 9.8 m-20 -71.73 -80.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.006 -179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.47 ' O ' ' HB3' ' A' 1588 ' ' CYS . 39.7 t 48.18 84.96 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.55 -179.501 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . 93.31 46.73 3.21 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.843 -179.269 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -45.67 111.11 0.31 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.519 -0.34 . . . . 0.0 111.187 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 95.2 mmm -79.79 -178.69 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -129.92 150.68 51.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' 1519 ' ' GLU . 0.9 OUTLIER -54.32 148.03 12.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.023 179.911 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.46 117.34 25.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 97.1 mt 59.75 102.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.288 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.489 ' OD1' HG23 ' A' 1524 ' ' THR . 40.5 t0 -159.79 130.59 5.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.577 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 93.0 mt -89.05 15.12 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.488 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1524 ' ' THR . . . . . 0.489 HG23 ' OD1' ' A' 1522 ' ' ASP . 68.9 p -84.5 0.43 49.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.822 0.344 . . . . 0.0 111.058 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.48 131.36 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.7 p -93.66 178.88 5.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1527 ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -90.46 -7.55 52.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.2 mt-10 -95.44 -43.04 8.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.2 m -55.69 -35.5 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.585 HH22 HD23 ' A' 1646 ' ' LEU . 71.9 mtm180 -75.35 -33.13 61.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.648 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 22.6 tptm -72.43 -28.96 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' 1528 ' ' GLU . 76.9 mt-30 -59.57 -18.64 42.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.802 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 77.7 m -100.19 -27.52 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.552 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.648 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -68.01 -21.68 65.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.203 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.6 t -88.98 -7.42 56.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.012 -179.816 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' 1533 ' ' THR . 55.0 mtmt -85.96 150.86 53.75 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.797 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.15 -13.54 19.94 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.614 2.209 . . . . 0.0 112.566 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' 1604 ' ' LYS . 7.5 tp10 -68.87 -9.61 52.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.991 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.639 HG21 ' HG2' ' A' 1602 ' ' MET . 33.5 mm -121.29 145.71 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 -179.759 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.61 ' HB1' ' HG3' ' A' 1605 ' ' GLU . . . -122.15 -34.78 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.2 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.853 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.3 p90 -138.4 159.78 41.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.359 0.6 . . . . 0.0 112.075 -179.198 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.55 ' HB2' ' HG3' ' A' 1602 ' ' MET . . . -150.56 109.28 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.399 179.03 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.776 ' HB2' HD11 ' A' 1563 ' ' LEU . 0.7 OUTLIER -154.61 -179.54 8.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.891 0.376 . . . . 0.0 111.811 -178.469 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' 1563 ' ' LEU . 0.0 OUTLIER -117.78 129.43 55.68 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.252 0.549 . . . . 0.0 110.541 179.708 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.636 HG12 ' N ' ' A' 1546 ' ' SER . 23.4 t -122.26 171.94 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.408 -178.548 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.636 ' N ' HG12 ' A' 1545 ' ' VAL . 22.9 t -144.56 115.36 7.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.18 178.603 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.601 HD13 ' HB2' ' A' 1561 ' ' ALA . 41.1 mm -55.38 143.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.304 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 73.6 p -135.83 -25.64 1.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.392 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.822 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 32.5 t -150.33 158.7 44.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.005 0.431 . . . . 0.0 111.28 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.2 mt -137.21 116.8 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.3 m -104.55 131.71 51.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 9.2 p -102.39 142.78 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1553 ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' 1554 ' ' ASN . 9.1 tp10 -143.36 165.05 28.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1554 ' ' ASN . . . . . 0.472 ' O ' ' HB ' ' A' 1555 ' ' VAL . 2.3 m-20 -75.02 121.62 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.472 ' HB ' ' O ' ' A' 1554 ' ' ASN . 92.3 t 74.81 -38.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.478 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -111.48 -174.83 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 11.2 p -164.17 143.35 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.487 ' HG2' HD13 ' A' 1583 ' ' ILE . 87.8 mttt -124.57 142.26 51.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 -179.774 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 88.3 m-85 -124.08 126.11 45.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.736 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.822 ' HB2' ' HB3' ' A' 1549 ' ' SER . 75.7 mmtt -93.83 104.94 16.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.601 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -121.92 141.77 50.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1562 ' ' THR . . . . . 0.502 ' C ' HG13 ' A' 1545 ' ' VAL . 5.3 m -97.52 118.01 33.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.776 HD11 ' HB2' ' A' 1543 ' ' TYR . 10.0 tp -68.65 104.43 1.98 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' 1562 ' ' THR . 4.4 mm? -68.13 -42.46 80.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -177.665 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.646 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 8.4 m-20 -150.94 155.42 39.07 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.171 -0.612 . . . . 0.0 112.39 -179.079 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.599 ' CD1' HD21 ' A' 1563 ' ' LEU . 8.9 mm -106.64 127.58 61.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.4 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.674 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 86.8 m-85 -112.41 -22.81 10.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.571 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.516 ' HB3' ' N ' ' A' 1542 ' ' ALA . 2.2 tmtp? -151.23 107.21 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.224 179.056 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1569 ' ' THR . . . . . 0.851 HG22 ' H ' ' A' 1571 ' ' GLU . 16.4 m -43.12 134.91 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.392 -178.656 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.853 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -81.94 1.21 87.22 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.445 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.851 ' H ' HG22 ' A' 1569 ' ' THR . 6.9 tp10 72.65 -41.51 0.51 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.609 0.364 . . . . 0.0 111.679 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -97.53 83.95 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.325 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 94.4 t 46.57 81.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.332 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.561 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -103.7 134.75 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.58 179.562 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.826 ' HB3' ' HB3' ' A' 1578 ' ' SER . 9.9 tp10 -140.28 143.17 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 -179.616 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.646 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 14.5 ptmm? -80.73 44.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.491 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.536 ' HB3' ' O ' ' A' 1576 ' ' LYS . 3.9 p30 169.83 19.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.752 -179.456 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.826 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 47.5 p -73.97 -167.26 0.47 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.142 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -128.81 114.92 17.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.319 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.552 HD11 HG21 ' A' 1545 ' ' VAL . 19.0 pt -113.68 143.65 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.772 -179.48 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 2.6 m -116.27 125.55 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.644 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.521 ' HB3' HD11 ' A' 1621 ' ' LEU . 12.2 m-85 -91.95 115.54 28.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.14 0.495 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.811 HG13 HD12 ' A' 1618 ' ' ILE . 1.7 mm -98.01 123.95 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.455 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.787 ' HB2' HD12 ' A' 1621 ' ' LEU . 35.0 ttpt -144.19 162.09 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.978 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.512 ' N ' ' HG2' ' A' 1584 ' ' LYS . 95.9 mttt -103.92 -179.31 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' 1555 ' ' VAL . 17.2 m -88.64 4.92 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.1 p -90.21 -42.95 10.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' 1584 ' ' LYS . 2.0 m -59.59 99.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.665 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 89.5 m -86.47 -32.62 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.352 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.532 ' OD1' ' HA ' ' A' 1513 ' ' ASP . 17.5 m120 -71.65 -45.25 62.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.328 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -63.19 112.28 2.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -136.84 150.85 48.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.792 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.72 166.83 22.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 94.1 t -137.75 135.27 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.007 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.46 ' HA ' ' CG2' ' A' 1547 ' ' ILE . 27.9 ttpp -68.92 141.77 54.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 61.91 55.46 28.19 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.413 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -156.55 133.24 10.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 110.935 -179.714 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -67.38 130.08 41.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.037 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -128.68 121.02 27.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.555 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.697 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 53.7 tp -76.93 141.43 40.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.731 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.49 HG22 ' HE1' ' A' 1541 ' ' TYR . 62.5 mt -135.4 142.05 40.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.095 0.474 . . . . 0.0 111.788 -179.015 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.639 ' HG2' HG21 ' A' 1539 ' ' ILE . 31.3 ttp -159.91 109.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.146 179.626 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' 1539 ' ' ILE . . . -179.48 -177.82 48.02 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 119.903 -1.141 . . . . 0.0 113.709 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' 1538 ' ' GLU . 32.4 mmmt -52.91 161.17 0.82 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.974 0.416 . . . . 0.0 111.704 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.61 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 39.0 mt-10 -64.52 -171.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.301 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -97.65 -170.47 2.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.049 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.76 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -149.38 123.04 9.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.105 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.73 HG22 ' HB3' ' A' 1616 ' ' ARG . 9.6 tp -137.09 -12.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.68 -179.118 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.749 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 61.6 tttm 59.41 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 50.4 t80 -66.05 -77.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.706 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -139.25 102.92 4.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 59.79 13.4 3.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 56.3 m -155.71 135.95 13.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.749 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 26.0 p90 -60.82 145.0 51.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.73 ' HB3' HG22 ' A' 1609 ' ' ILE . 78.1 ttt180 -106.5 99.41 8.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.705 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -96.31 97.24 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.811 HD12 HG13 ' A' 1583 ' ' ILE . 24.5 pt -114.12 128.33 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.617 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.508 ' CE1' HG22 ' A' 1580 ' ' ILE . 43.9 m-85 -84.76 116.06 63.59 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 -179.3 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.78 -177.41 3.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.71 2.273 . . . . 0.0 112.578 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.787 HD12 ' HB2' ' A' 1584 ' ' LYS . 92.7 mt -137.9 81.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.465 ' O ' ' HA2' ' A' 1515 ' ' GLY . 10.0 m-20 -99.99 179.14 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 72.9 p -63.65 -19.25 64.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' 1625 ' ' THR . 1.4 pp -85.06 -14.85 45.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.042 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.573 ' N ' HD12 ' A' 1624 ' ' LEU . 48.9 m -70.17 98.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.602 ' HB3' ' HB3' ' A' 1602 ' ' MET . 58.8 t-105 -71.29 115.13 10.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.025 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.5 mt -122.35 124.87 71.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.626 179.63 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.697 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 10.3 tp10 -126.16 118.65 25.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.34 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 6.8 t80 -61.9 120.38 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -107.65 107.37 60.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.339 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.415 ' CG ' HD21 ' A' 1643 ' ' LEU . 87.4 Cg_exo -46.82 110.57 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.578 2.185 . . . . 0.0 112.359 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -51.96 -31.08 27.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.197 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -115.1 144.91 42.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.848 HG22 HD13 ' A' 1643 ' ' LEU . 42.9 p -112.88 -28.63 7.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.036 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 68.0 p -88.09 28.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.347 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 82.5 m -55.57 -64.88 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 77.5 p -168.14 -57.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.767 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 36.7 t -167.35 12.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.695 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 82.2 m -90.23 10.63 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.453 ' CB ' HD12 ' A' 1643 ' ' LEU . 29.7 pt20 -84.85 15.84 3.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.68 80.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 84.7 t80 -64.9 -20.17 66.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.742 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.848 HD13 HG22 ' A' 1634 ' ' THR . 65.6 mt -76.42 2.22 14.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.121 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -94.77 -40.15 9.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.751 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -68.48 -20.41 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.585 HD23 HH22 ' A' 1530 ' ' ARG . 84.4 mt -73.52 -30.8 63.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.654 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.38 -36.08 81.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1648 ' ' GLU . . . . . 0.434 ' OE2' ' HB3' ' A' 1527 ' ' ALA . 40.4 tt0 -64.07 -36.89 85.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 179.801 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.66 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 90.0 t80 -87.81 -15.09 37.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.615 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -53.17 -59.4 4.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.648 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1651 ' ' GLU . . . . . 0.494 ' HG3' HD12 ' A' 1655 ' ' LEU . 1.9 tp10 -91.19 -6.81 52.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.613 -179.211 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 17.6 t70 -79.5 -17.95 53.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.834 0.349 . . . . 0.0 110.797 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.481 HD12 ' HE3' ' A' 1531 ' ' LYS . 7.9 tp -98.01 -23.15 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.747 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 57.4 t80 -90.84 -50.24 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.573 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.494 HD12 ' HG3' ' A' 1651 ' ' GLU . 33.8 mt -84.76 -53.13 5.56 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.057 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.46 10.02 29.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.132 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . -51.93 145.4 15.75 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.859 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.972 179.925 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 52.2 m -146.18 9.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.653 0.263 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 66.1 m80 59.46 -175.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.0 mmt -108.01 156.17 19.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -95.13 101.47 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -72.41 129.74 39.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.042 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 63.2 m -97.0 32.71 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.184 0.516 . . . . 0.0 110.328 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 126.67 74.44 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.13 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -51.38 108.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.523 ' HE2' ' HB1' ' A' 1591 ' ' ALA . 26.4 mmt -56.82 120.61 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -64.03 176.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.453 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 2.1 mp0 -62.17 172.56 1.4 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -96.47 -85.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' 1639 ' ' CYS . 6.7 mp -103.37 103.06 13.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.228 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.453 ' OD1' ' HB3' ' A' 1519 ' ' GLU . 3.3 m-20 -142.38 106.88 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.546 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.503 HD23 ' HD1' ' A' 1642 ' ' PHE . 22.2 mt -72.02 1.93 6.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 71.1 p -73.99 -19.16 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.057 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 66.0 mt -99.52 136.81 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 53.5 m -90.46 178.72 6.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1527 ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -92.61 -26.43 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' 1532 ' ' GLN . 14.7 mm-40 -77.73 -33.99 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 55.1 m -61.13 -31.93 71.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.543 HH22 HD13 ' A' 1646 ' ' LEU . 82.9 mtm180 -85.79 -35.38 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' 1531 ' ' LYS . 12.4 tmtt? -62.5 -38.19 88.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' 1528 ' ' GLU . 80.2 mt-30 -58.31 -18.8 29.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.567 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.798 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 48.6 m -87.24 -26.24 23.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.838 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.88 92.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.3 t -89.17 2.75 53.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.971 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.798 ' HE3' ' HA ' ' A' 1533 ' ' THR . 36.6 ttmt -61.31 140.67 94.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.595 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1537 ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' 1536 ' ' LYS . 11.6 Cg_endo -54.92 -44.27 51.29 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.727 2.285 . . . . 0.0 112.81 -179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.422 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.7 pt-20 -69.3 -4.56 18.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.594 HG13 HG22 ' A' 1533 ' ' THR . 39.6 mm -112.87 120.95 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -88.21 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.731 -179.593 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.871 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.9 p90 -107.32 162.09 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.165 0.507 . . . . 0.0 112.037 -179.008 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.605 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.1 97.64 2.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.174 179.301 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.719 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 3.7 p90 -150.07 170.67 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.092 0.472 . . . . 0.0 111.761 -179.395 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 60.6 tttm -106.22 135.14 48.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.454 179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' 1563 ' ' LEU . 26.0 m -130.68 -175.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 111.378 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.815 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.8 t -149.68 128.92 12.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.985 -179.781 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.537 HD11 HD22 ' A' 1593 ' ' LEU . 44.3 mm -67.54 143.0 15.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.663 179.727 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1548 ' ' THR . . . . . 0.436 HG22 ' HA ' ' A' 1561 ' ' ALA . 6.5 t -137.23 -19.1 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.788 -179.685 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.891 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 32.3 t -154.2 156.5 37.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.025 0.44 . . . . 0.0 111.56 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.425 HG12 ' HD1' ' A' 1559 ' ' TYR . 79.8 mt -142.71 123.97 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.488 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 88.4 m -132.38 130.18 40.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.384 . . . . 0.0 111.395 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.51 HG23 HG22 ' A' 1557 ' ' VAL . 5.0 p -119.76 132.13 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.75 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -93.22 -86.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.134 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -136.38 -74.83 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.006 -179.723 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 89.6 t -95.24 -41.16 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -98.1 127.0 43.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.223 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.51 HG22 HG23 ' A' 1552 ' ' VAL . 47.6 t -96.26 146.01 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.513 179.503 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.821 ' HG2' HG22 ' A' 1583 ' ' ILE . 90.3 mttt -124.28 151.68 43.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 111.354 -179.436 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.425 ' HD1' HG12 ' A' 1550 ' ' ILE . 99.5 m-85 -134.51 119.69 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.746 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.891 ' HB3' ' HB3' ' A' 1549 ' ' SER . 47.1 tptt -93.98 110.92 22.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.436 ' HA ' HG22 ' A' 1548 ' ' THR . . . -127.24 164.68 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 111.403 -179.641 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1562 ' ' THR . . . . . 0.416 HG22 ' O ' ' A' 1563 ' ' LEU . 1.5 m -118.75 133.58 55.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.953 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.829 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.0 tt -63.68 148.5 48.88 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.555 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.815 HD11 ' HB2' ' A' 1546 ' ' SER . 91.5 mt -108.3 -53.62 2.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.157 179.518 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' 1543 ' ' TYR . 10.6 m-20 -156.52 140.55 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.091 179.452 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.719 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 70.8 mt -98.88 126.36 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.428 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.678 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -102.42 -20.58 14.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.352 0.596 . . . . 0.0 109.41 178.644 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.605 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.8 tttp -151.82 124.53 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.807 179.228 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1569 ' ' THR . . . . . 0.53 HG22 ' H ' ' A' 1571 ' ' GLU . 3.7 m -48.28 159.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.034 0.445 . . . . 0.0 111.812 -179.134 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.871 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -102.2 -0.2 50.93 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.014 -179.35 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.53 ' H ' HG22 ' A' 1569 ' ' THR . 44.4 mt-10 74.56 -44.44 0.55 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.74 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -88.29 46.35 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.978 0.418 . . . . 0.0 110.182 179.327 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 80.6 t 63.14 88.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.182 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.555 ' HB1' HD13 ' A' 1566 ' ' ILE . . . -98.36 129.29 45.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.39 179.429 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.517 ' HB2' ' HB3' ' A' 1578 ' ' SER . 18.4 mm-40 -125.68 142.8 51.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.264 -179.491 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.462 ' HE2' ' OD1' ' A' 1565 ' ' ASP . 60.4 tttm -59.5 139.67 56.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.963 179.21 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.782 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.3 p30 48.32 32.88 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 111.223 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 61.4 p -68.82 -166.01 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.668 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1579 ' ' GLU . . . . . 0.484 ' CD ' ' HE3' ' A' 1560 ' ' LYS . 9.6 tp10 -112.15 122.92 49.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.44 179.555 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.664 HD12 ' HE1' ' A' 1582 ' ' PHE . 39.6 pt -122.41 142.72 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 111.825 -179.46 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.9 m -135.7 110.13 8.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.471 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.664 ' HE1' HD12 ' A' 1580 ' ' ILE . 61.7 m-85 -101.23 127.42 47.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.503 -179.451 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.821 HG22 ' HG2' ' A' 1558 ' ' LYS . 48.6 pt -118.71 152.92 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.987 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.688 ' HB3' HD23 ' A' 1621 ' ' LEU . 22.3 pttp -148.4 176.83 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.492 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -89.94 -168.49 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.5 p -97.54 -21.86 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.6 p -68.15 -16.1 63.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.298 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.465 ' HB2' ' H ' ' A' 1589 ' ' THR . 2.7 m -58.94 -85.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1589 ' ' THR . . . . . 0.465 ' H ' ' HB2' ' A' 1588 ' ' CYS . 4.3 m 57.37 14.79 2.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.088 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 13.8 m120 -124.48 -29.55 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.523 ' HB1' ' HE2' ' A' 1517 ' ' MET . . . -103.17 98.64 8.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -135.74 119.4 17.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.537 HD22 HD11 ' A' 1547 ' ' ILE . 3.2 mp -98.02 119.36 36.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.496 HG12 ' OH ' ' A' 1599 ' ' TYR . 11.3 p -65.96 144.67 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.5 ' HB3' ' NZ ' ' A' 1595 ' ' LYS . 6.0 ttpm? -82.14 113.75 20.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 131.26 -28.24 3.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.669 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -90.34 172.74 8.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.937 0.398 . . . . 0.0 111.224 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -116.07 146.64 42.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.611 179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.496 ' OH ' HG12 ' A' 1594 ' ' VAL . 96.4 m-85 -141.16 158.81 43.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.057 0.456 . . . . 0.0 111.551 -179.536 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' 1543 ' ' TYR . 61.2 tp -106.28 123.92 48.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.989 179.226 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.533 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.5 mt -114.44 134.2 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.077 0.465 . . . . 0.0 112.02 -179.121 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1602 ' ' MET . . . . . . . . . . . . . 66.0 mtp -147.27 112.68 5.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.073 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.528 ' HA2' HD12 ' A' 1539 ' ' ILE . . . 176.27 -166.46 37.52 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.097 -1.049 . . . . 0.0 113.52 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -48.67 151.33 1.18 Allowed 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.889 0.376 . . . . 0.0 111.447 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -73.47 -173.53 1.44 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.075 -179.822 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.404 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -84.72 148.18 26.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.071 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' 1607 ' ' LEU . 7.2 mp -89.28 115.93 27.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.496 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 38.7 mt-30 -72.35 122.69 21.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.832 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.821 HG13 ' HB3' ' A' 1615 ' ' PHE . 12.7 pt -141.2 3.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.428 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.87 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 39.7 ttpt -49.75 109.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 81.3 t80 -105.66 -61.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.736 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 44.2 t30 -159.65 80.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.025 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 54.97 18.63 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.47 179.823 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.5 t -116.61 -20.72 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 111.014 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.821 ' HB3' HG13 ' A' 1609 ' ' ILE . 91.3 m-85 -140.61 -173.75 3.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.773 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.87 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 39.0 ptt180 171.37 -164.9 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -179.331 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.496 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 2.9 m-85 -75.75 89.6 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.61 179.725 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 46.7 pt -105.16 149.88 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' 1582 ' ' PHE . 52.5 m-85 -100.91 130.14 25.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -77.64 -167.23 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.587 2.191 . . . . 0.0 112.104 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' 1584 ' ' LYS . 49.6 tp -163.44 102.33 0.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.695 ' HB2' HD22 ' A' 1624 ' ' LEU . 9.5 m-20 -133.77 -164.48 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.802 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.2 p -80.41 10.83 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.709 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.695 HD22 ' HB2' ' A' 1622 ' ' ASP . 1.4 pt? -108.8 -2.68 18.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.343 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 58.7 m -85.7 129.27 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -95.31 112.26 24.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' 1600 ' ' LEU . 69.5 mt -123.82 127.26 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.87 120.71 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.717 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.455 ' HA ' ' CD1' ' A' 1599 ' ' TYR . 15.7 t80 -61.37 114.86 3.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.497 ' CZ2' ' HB3' ' A' 1646 ' ' LEU . 3.2 t90 -105.78 97.46 15.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.034 179.451 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.43 ' HB2' HD21 ' A' 1643 ' ' LEU . 87.2 Cg_exo -44.42 103.48 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.778 2.318 . . . . 0.0 112.592 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -57.17 -24.46 54.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.73 126.77 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.577 HG22 HD13 ' A' 1643 ' ' LEU . 71.5 p -106.72 22.65 15.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.244 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 1.8 t -158.15 84.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.042 0.449 . . . . 0.0 111.317 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' 1639 ' ' CYS . 74.6 m -139.76 -77.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.906 179.779 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.5 t -171.04 107.0 0.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 54.4 m 57.28 19.75 5.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.481 ' HA ' HD21 ' A' 1521 ' ' LEU . 82.4 m -85.99 -36.9 19.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.03 -25.15 64.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -55.75 -29.66 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.269 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.503 ' HD1' HD23 ' A' 1523 ' ' LEU . 90.4 t80 -94.32 -33.6 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.59 ' HA ' HD23 ' A' 1646 ' ' LEU . 65.2 mt -65.15 -12.49 51.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.727 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.3 74.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -75.21 -29.54 60.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' 1643 ' ' LEU . 3.8 mm? -68.93 -28.39 66.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.85 -43.86 91.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.08 -25.34 68.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.457 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 84.5 t80 -87.27 -29.97 21.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -69.69 -23.14 63.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.279 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -98.14 -34.42 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.28 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.61 ' CG ' HD22 ' A' 1656 ' ' ASN . 14.3 t70 -53.6 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.549 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.696 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 8.5 tp -55.67 -26.17 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.614 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1654 ' ' PHE . . . . . 0.525 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 13.8 t80 -76.52 -32.29 58.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.479 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.525 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 93.2 mt -99.07 -74.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.907 0.385 . . . . 0.0 111.363 -178.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.61 HD22 ' CG ' ' A' 1652 ' ' ASP . 3.9 p-10 -76.15 -55.52 5.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.417 -179.62 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.696 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 61.92 -158.53 33.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A 1658 ' ' CYS . . . . . 0.505 ' HB2' ' HZ1' ' A' 1531 ' ' LYS . 44.1 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A 1509 ' ' SER . . . . . 0.407 ' OG ' HG22 ' A' 1587 ' ' THR . 47.8 t 65.52 134.53 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.962 0.41 . . . . 0.0 111.207 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.1 m80 -66.58 -20.8 66.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.0 tpt 60.77 101.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -123.74 148.57 46.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.866 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' 1590 ' ' ASN . 9.5 m-20 -75.41 -40.63 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.264 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' 1516 ' ' GLN . 97.7 m 59.43 -152.82 0.39 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.168 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -53.13 84.57 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.883 178.906 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' 1514 ' ' CYS . 29.5 tt0 -43.59 -31.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.43 0.292 . . . . 0.0 111.36 -179.508 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' 1516 ' ' GLN . 25.1 ptm 44.3 -162.96 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.598 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -134.38 165.41 25.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.11 167.81 6.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.42 -80.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.07 105.72 17.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -136.82 105.46 5.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 73.2 mt -97.57 99.66 11.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.23 -179.647 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 10.1 t -176.25 -20.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.6 mt -90.09 118.83 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.7 p -80.16 171.79 14.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.08 -1.19 38.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -104.74 -36.47 7.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.7 m -64.06 -45.03 90.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.627 ' NH2' HD13 ' A' 1600 ' ' LEU . 16.1 ptm180 -78.82 -10.77 59.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.015 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.715 ' HE2' HD13 ' A' 1653 ' ' ILE . 27.4 tptp -86.03 -24.7 26.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' 1528 ' ' GLU . 84.8 mm-40 -59.26 -16.48 21.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.955 0.407 . . . . 0.0 110.655 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.81 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 50.9 m -90.88 -30.24 17.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.953 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.592 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -68.5 -26.6 65.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.0 t -85.5 0.6 51.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.993 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.81 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.0 mtmt -90.65 142.23 27.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1537 ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 32.4 Cg_exo -58.29 -24.93 70.2 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.61 -33.2 73.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.706 HG13 HG22 ' A' 1533 ' ' THR . 41.0 mm -99.05 106.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.438 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -78.68 -58.21 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.474 ' HE1' HG22 ' A' 1601 ' ' ILE . 2.0 p90 -108.17 163.09 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.325 0.583 . . . . 0.0 111.955 -179.231 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.625 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -154.8 121.16 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.222 179.25 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' 1565 ' ' ASP . 0.6 OUTLIER -170.2 -176.77 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.259 0.552 . . . . 0.0 112.264 -179.176 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -112.96 126.87 55.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.373 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' 1563 ' ' LEU . 17.4 m -121.01 -179.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.351 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.716 ' HB2' HD11 ' A' 1564 ' ' LEU . 21.7 t -152.28 125.71 8.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' 1561 ' ' ALA . 40.4 mm -66.71 143.46 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 70.7 p -131.43 -22.03 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.59 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.808 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 47.2 t -150.73 160.6 43.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.972 0.415 . . . . 0.0 111.232 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 83.4 mt -135.96 115.12 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1551 ' ' THR . . . . . 0.881 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 50.7 m -97.28 126.07 42.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.645 HG22 HG13 ' A' 1557 ' ' VAL . 93.4 t -125.52 128.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.995 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -115.69 -75.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -147.71 -69.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 30.7 t -104.94 -46.29 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -90.72 108.55 19.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.645 HG13 HG22 ' A' 1552 ' ' VAL . 61.8 t -92.92 108.55 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.714 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.881 ' HB2' ' HB ' ' A' 1551 ' ' THR . 34.1 mmtp -79.02 159.04 27.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -140.51 121.46 14.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.808 ' HB3' ' HB3' ' A' 1549 ' ' SER . 24.4 tptm -94.17 123.72 37.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.524 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.08 -179.9 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 111.674 -179.526 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 4.2 m -142.67 127.45 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.714 HD21 HG12 ' A' 1566 ' ' ILE . 14.3 tp -67.84 107.8 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.601 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' 1546 ' ' SER . 85.3 mt -63.41 -49.48 73.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.287 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' 1543 ' ' TYR . 18.4 t70 -158.74 149.32 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.714 HG12 HD21 ' A' 1563 ' ' LEU . 53.2 mt -87.97 139.82 16.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.153 0.501 . . . . 0.0 112.105 -179.349 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' 1542 ' ' ALA . 17.6 m-85 -116.91 -20.94 9.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.022 178.105 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 63.0 tttp -162.34 108.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.415 179.5 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 91.3 m -41.39 142.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.344 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.794 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -95.45 132.43 11.09 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.163 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.36 -27.98 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.844 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -89.73 41.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.638 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 79.6 t 55.75 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.227 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.794 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.53 133.12 55.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.661 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.592 ' O ' HD23 ' A' 1563 ' ' LEU . 40.1 mt-10 -131.66 152.94 50.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.851 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.547 ' N ' HD11 ' A' 1566 ' ' ILE . 9.2 ptpp? -62.78 148.76 45.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.438 179.777 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.1 p30 47.55 29.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.337 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 32.5 t -79.6 -168.89 1.71 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.591 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -109.42 143.94 38.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.483 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.48 HD12 ' CE2' ' A' 1582 ' ' PHE . 4.1 pt -148.13 149.97 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 111.797 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 59.4 m -134.19 117.67 16.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.629 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.614 ' HA ' ' O ' ' A' 1619 ' ' TYR . 67.6 m-85 -108.7 123.42 48.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.343 0.592 . . . . 0.0 111.364 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.518 HG12 ' HD2' ' A' 1558 ' ' LYS . 33.7 mt -92.23 133.87 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.323 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.42 ' HB2' HD12 ' A' 1621 ' ' LEU . 28.7 ttpt -134.61 142.59 46.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.31 179.291 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -90.09 159.33 16.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.5 p -69.11 -26.11 31.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1587 ' ' THR . . . . . 0.407 HG22 ' OG ' ' A' 1509 ' ' SER . 74.6 p -72.54 -13.89 61.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 67.0 m -65.55 112.75 3.75 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 52.3 m -110.59 -30.23 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' 1513 ' ' ASP . 17.3 m120 -86.37 -22.8 26.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -93.06 106.73 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.976 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -114.95 141.18 48.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.989 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.7 mt -138.63 119.91 14.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.537 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 58.5 t -104.34 138.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.516 ' HB3' ' NZ ' ' A' 1595 ' ' LYS . 5.9 ttpm? -79.68 121.18 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 106.67 -8.01 39.61 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.684 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.537 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 90.2 mtt180 -99.17 172.66 7.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.99 0.424 . . . . 0.0 111.4 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.557 ' HG2' HD11 ' A' 1564 ' ' LEU . 48.0 mt-30 -109.88 138.11 46.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.766 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -142.18 129.91 21.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.342 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.627 HD13 ' NH2' ' A' 1530 ' ' ARG . 6.0 tt -80.29 139.64 36.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.618 ' N ' HD23 ' A' 1600 ' ' LEU . 86.2 mt -133.19 137.69 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.203 0.525 . . . . 0.0 112.178 -179.219 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.569 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 77.2 mtp -142.19 117.7 10.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.984 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.493 ' N ' HG23 ' A' 1539 ' ' ILE . . . -171.29 176.4 44.59 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.138 -1.03 . . . . 0.0 113.29 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.625 ' N ' ' HD2' ' A' 1604 ' ' LYS . 0.0 OUTLIER -61.54 177.44 0.39 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.944 0.402 . . . . 0.0 111.215 -179.795 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.844 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.0 pt-20 -70.38 176.12 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.468 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -89.67 -171.72 3.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.8 mt -109.56 -171.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.412 ' HB3' ' CE1' ' A' 1617 ' ' TYR . 20.3 pt20 -161.47 110.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.731 HG22 ' HB2' ' A' 1616 ' ' ARG . 9.7 tp -118.76 -8.55 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.458 -179.351 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.86 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 17.5 tppt? 62.21 111.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 78.0 t80 -150.6 -60.48 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -68.38 -75.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -147.83 -68.61 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 50.3 m -97.16 68.15 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.86 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 97.3 m-85 59.13 177.27 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.234 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.731 ' HB2' HG22 ' A' 1609 ' ' ILE . 1.1 mmp_? -117.85 97.96 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.987 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' 1608 ' ' GLN . 4.8 m-85 -100.87 81.59 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.826 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 40.5 pt -103.09 161.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' 1582 ' ' PHE . 24.4 m-85 -121.79 119.62 28.95 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.63 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -77.9 -173.57 1.87 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.29 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.42 HD12 ' HB2' ' A' 1584 ' ' LYS . 97.0 mt -144.59 94.2 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.711 179.663 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.513 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 9.8 m-20 -115.27 -174.3 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' 1514 ' ' CYS . 78.7 p -68.92 -8.86 48.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.676 -179.456 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.513 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.1 pt? -98.02 -7.88 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.334 . . . . 0.0 110.994 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.2 m -77.33 111.44 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.569 ' HB3' ' HB2' ' A' 1602 ' ' MET . 62.6 t-105 -72.82 116.39 13.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' 1600 ' ' LEU . 70.0 mt -133.99 105.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -108.15 122.25 46.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.475 ' O ' ' HD3' ' A' 1631 ' ' PRO . 67.5 t80 -58.0 122.92 14.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -96.57 104.29 17.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.138 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.741 ' HB2' HD21 ' A' 1643 ' ' LEU . 87.4 Cg_exo -47.2 99.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.586 2.191 . . . . 0.0 112.519 -179.546 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' 1632 ' ' ARG . 3.7 tmt_? -61.37 -38.66 87.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.674 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.68 134.6 33.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.0 p -138.79 3.68 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 69.5 p -136.76 19.5 3.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 80.8 m -109.31 -47.71 3.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 75.9 p -138.69 -163.38 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 34.8 t -81.43 19.56 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.022 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 75.0 m -81.1 1.02 33.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.783 ' HA ' HD23 ' A' 1643 ' ' LEU . 20.6 pt20 -87.25 4.61 41.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -84.48 -29.44 26.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.547 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 58.5 t80 -68.33 -28.19 66.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.761 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -69.9 -28.87 65.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.73 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -80.17 -14.49 58.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.736 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.77 -26.18 21.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -61.38 -40.8 95.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1648 ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' 1652 ' ' ASP . 41.1 tt0 -66.69 -31.42 72.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' 1653 ' ' ILE . 88.4 t80 -79.81 -25.27 40.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.792 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.37 -66.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.294 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -69.31 -4.24 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.143 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.443 ' CG ' HD22 ' A' 1656 ' ' ASN . 10.4 t70 -79.43 -74.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.715 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.5 tp -60.79 -29.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.203 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 54.4 t80 -70.83 -39.58 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.368 -179.655 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' 1655 ' ' LEU . 2.3 tm? -105.17 -75.07 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.91 0.386 . . . . 0.0 111.072 -179.233 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.443 HD22 ' CG ' ' A' 1652 ' ' ASP . 3.7 p-10 -81.72 28.26 0.42 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.574 -179.393 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -59.98 158.36 25.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.554 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.903 -179.989 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.123 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 53.7 m 58.56 21.25 8.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.662 0.268 . . . . 0.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 69.6 m-70 62.11 106.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 52.2 ttm -65.36 128.53 36.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.094 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -137.1 137.77 39.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.829 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.87 -81.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.26 -179.785 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.462 ' O ' ' HB3' ' A' 1588 ' ' CYS . 42.8 t 47.0 77.98 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.044 0.449 . . . . 0.0 110.221 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.672 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 103.52 40.65 2.33 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.595 -178.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.516 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 53.6 tt0 -49.3 112.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.288 -0.456 . . . . 0.0 111.179 -179.561 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' 1515 ' ' GLY . 86.5 mtp -102.41 178.93 4.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -101.89 161.28 13.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.0 -178.9 0.83 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -85.34 -87.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.083 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' 1637 ' ' SER . 60.6 mt -101.39 99.54 9.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.57 ' HB3' HG22 ' A' 1524 ' ' THR . 3.9 m-20 -147.58 102.1 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.585 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.28 8.35 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.974 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1524 ' ' THR . . . . . 0.57 HG22 ' HB3' ' A' 1522 ' ' ASP . 6.5 t -66.7 -26.43 67.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.494 HG13 HG23 ' A' 1524 ' ' THR . 66.2 mt -94.25 132.6 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.998 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.6 m -85.57 176.59 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.29 -31.15 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.6 mt-10 -78.94 -29.91 44.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 46.3 m -61.86 -26.19 67.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.517 HH22 HD12 ' A' 1646 ' ' LEU . 33.4 mtm180 -95.42 -34.86 11.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.724 ' HE3' HD13 ' A' 1653 ' ' ILE . 22.2 tptm -64.77 -39.28 93.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' 1536 ' ' LYS . 49.9 mt-30 -59.25 -17.94 32.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.521 179.646 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.837 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 96.8 m -80.93 -40.95 23.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.798 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.532 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -63.39 -30.57 71.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.224 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 99.6 m -75.3 -23.14 57.3 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.837 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.9 mtmt -61.52 148.98 85.3 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.28 -11.33 31.81 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.536 2.157 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.489 ' O ' HD13 ' A' 1539 ' ' ILE . 12.2 pt-20 -83.34 2.69 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' 1603 ' ' GLY . 41.3 mm -128.75 113.62 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.09 -62.15 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.464 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.533 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.6 p90 -104.46 159.04 16.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.733 -179.096 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.75 98.82 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.236 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.73 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 6.8 p90 -148.29 176.82 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.072 0.463 . . . . 0.0 111.9 -179.208 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 83.3 tttt -115.09 133.58 55.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.418 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.825 HG12 ' HA ' ' A' 1563 ' ' LEU . 16.8 m -130.07 -173.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 111.377 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 11.2 t -152.14 126.98 9.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.779 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.467 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.2 mm -59.52 145.78 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 69.9 p -132.38 -16.4 2.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.63 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.745 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 36.0 t -162.09 159.51 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 111.498 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -137.54 113.5 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.616 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1551 ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 60.4 m -100.79 137.36 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.321 -179.687 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 87.2 t -135.27 123.33 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.04 -81.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -149.73 -67.81 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.998 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' 1586 ' ' VAL . 66.2 t -105.38 -34.08 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.185 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -99.28 113.43 25.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.577 ' HB ' ' HG3' ' A' 1584 ' ' LYS . 47.9 t -91.92 147.86 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.628 179.769 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.823 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.7 mttt -132.89 152.39 51.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.926 0.393 . . . . 0.0 111.346 -179.633 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.611 ' HE2' ' HD3' ' A' 1584 ' ' LYS . 98.9 m-85 -138.08 112.51 8.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.689 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.745 ' HB3' ' HB3' ' A' 1549 ' ' SER . 24.2 tptm -89.3 127.19 35.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.501 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.467 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -141.05 160.1 40.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 111.615 -179.68 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -113.34 138.06 50.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.027 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.825 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.0 tt -71.45 139.73 49.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.624 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.608 ' N ' HD23 ' A' 1563 ' ' LEU . 9.2 mp -97.96 -56.46 2.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.969 0.414 . . . . 0.0 110.476 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' A' 1543 ' ' TYR . 9.3 m-20 -154.51 148.05 25.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.269 179.722 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.73 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 62.5 mt -107.04 129.45 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 111.902 -179.637 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.519 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -102.45 -19.44 14.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.747 178.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.635 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.7 tttp -148.71 113.46 5.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.029 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 85.8 m -47.04 147.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.17 0.51 . . . . 0.0 111.759 -179.293 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.801 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.39 133.86 11.5 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.222 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 35.5 mt-10 -58.08 -27.24 63.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.742 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.82 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -91.1 40.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.427 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.4 t 56.2 89.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.227 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.801 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.38 128.56 54.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.707 179.573 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.431 ' O ' HD13 ' A' 1563 ' ' LEU . 19.8 mm-40 -128.07 144.63 51.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.912 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.608 ' HE3' ' HB ' ' A' 1566 ' ' ILE . 12.6 mptt -59.09 127.73 33.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.745 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.2 t70 64.65 42.23 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.061 0.458 . . . . 0.0 110.827 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.536 ' H ' ' HB3' ' A' 1563 ' ' LEU . 60.3 p -87.72 -165.84 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.762 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.69 134.85 54.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.771 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.68 HD12 ' HE1' ' A' 1582 ' ' PHE . 31.9 pt -139.23 140.53 37.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.493 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 37.9 m -132.9 120.7 21.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.77 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.68 ' HE1' HD12 ' A' 1580 ' ' ILE . 61.8 m-85 -109.72 118.93 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.123 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.823 HG22 ' HG2' ' A' 1558 ' ' LYS . 40.2 pt -105.6 169.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.611 ' HD3' ' HE2' ' A' 1559 ' ' TYR . 19.3 ptmt -170.01 -170.95 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 111.055 -179.615 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' 1585 ' ' LYS . 12.4 mptt -115.17 -175.61 2.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.654 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' 1555 ' ' VAL . 28.3 m -95.84 15.8 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.9 p -108.55 -24.46 11.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.465 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' 1514 ' ' CYS . 8.0 m -69.75 88.7 0.54 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.91 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 21.9 m -93.56 69.19 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.516 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 22.3 t-20 -173.37 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.672 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -95.74 96.74 9.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.894 0.378 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -126.43 137.62 53.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.462 HD13 HD11 ' A' 1547 ' ' ILE . 85.7 mt -123.43 140.07 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 57.3 t -101.63 133.37 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.998 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.58 133.25 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 65.48 64.05 3.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.549 ' HE ' ' HE1' ' A' 1629 ' ' TYR . 32.6 ttt180 -157.36 145.05 18.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.684 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -82.71 137.45 34.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.988 0.423 . . . . 0.0 111.589 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.523 ' OH ' ' HD3' ' A' 1597 ' ' ARG . 75.2 m-85 -146.25 139.95 26.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.849 179.761 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' 1627 ' ' ILE . 47.0 tp -85.6 136.67 33.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.38 179.518 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.533 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.4 mt -134.66 125.8 46.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.951 0.405 . . . . 0.0 111.933 -179.531 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.532 ' SD ' ' HB2' ' A' 1534 ' ' ALA . 41.9 mtm -143.38 114.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.875 179.174 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.546 ' N ' HG23 ' A' 1539 ' ' ILE . . . -170.86 179.39 42.82 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.11 -1.043 . . . . 0.0 113.324 -179.295 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' 1538 ' ' GLU . 13.6 mmmm -57.5 170.49 0.54 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.82 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.1 pt-20 -61.58 176.18 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -92.87 -177.09 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.254 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.3 mt -81.97 -163.33 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.785 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -146.61 94.69 2.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.216 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 2.5 mm -109.86 18.88 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.406 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 63.1 pttt -51.3 150.77 3.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.564 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 40.9 p90 -164.98 6.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.182 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 6.7 p30 -162.8 -161.22 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.813 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -69.51 4.79 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.44 -179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 52.4 m -143.04 93.43 2.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.447 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 28.7 p90 -57.14 161.18 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.98 179.659 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1616 ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -132.67 96.02 3.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.073 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -93.81 101.07 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 37.3 pt -103.15 162.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.016 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 43.1 m-85 -112.84 138.31 22.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.64 -21.28 19.37 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.558 2.172 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' 1583 ' ' ILE . 61.3 tp 57.01 97.53 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -146.87 -167.56 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 65.7 p -59.67 -32.07 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.179 -179.678 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 47.9 tp -61.8 -27.96 69.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.837 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 30.6 m -77.65 106.36 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.196 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -76.02 103.6 6.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' 1600 ' ' LEU . 65.8 mt -116.52 134.21 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -134.48 145.03 48.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.549 ' HE1' ' HE ' ' A' 1597 ' ' ARG . 10.1 t80 -76.99 119.72 21.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.463 ' CE3' HD23 ' A' 1646 ' ' LEU . 2.4 t-105 -104.73 101.59 29.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.135 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.708 ' HB2' HD11 ' A' 1643 ' ' LEU . 80.7 Cg_exo -45.26 111.06 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.64 2.227 . . . . 0.0 112.392 -179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.509 ' HD2' ' HG3' ' A' 1597 ' ' ARG . 80.8 mtp180 -47.63 -37.05 11.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.366 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1633 ' ' ASP . . . . . 0.555 ' OD2' HG22 ' A' 1635 ' ' THR . 7.7 t70 -146.67 176.92 9.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.787 ' HB ' ' HB3' ' A' 1640 ' ' GLN . 72.9 p -88.28 -39.37 14.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.295 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.555 HG22 ' OD2' ' A' 1633 ' ' ASP . 8.8 t -83.55 -6.36 59.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.145 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.5 t -69.97 -56.57 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1637 ' ' SER . . . . . 0.531 ' HB3' HD11 ' A' 1521 ' ' LEU . 52.8 m -88.51 5.18 43.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 53.0 m 59.24 17.4 5.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 52.3 t -150.52 105.35 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.787 ' HB3' ' HB ' ' A' 1634 ' ' THR . 0.4 OUTLIER -93.71 4.08 54.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.55 -14.57 61.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.767 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.431 ' O ' HD13 ' A' 1646 ' ' LEU . 54.3 t80 -90.95 -32.86 15.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.78 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.736 HD23 ' HA ' ' A' 1640 ' ' GLN . 3.0 mm? -72.01 -23.03 61.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.807 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.66 -20.1 60.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -87.03 -48.32 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.767 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.517 HD12 HH22 ' A' 1530 ' ' ARG . 9.9 mp -63.69 -27.07 68.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.69 -25.17 67.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.29 -35.04 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.658 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.458 ' O ' HG22 ' A' 1653 ' ' ILE . 82.6 t80 -72.92 -25.03 60.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.683 179.844 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.92 -63.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.288 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.39 -8.13 54.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -74.45 -69.24 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.786 HD12 ' HA2' ' A' 1657 ' ' GLY . 6.0 tp -62.07 -27.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.778 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.46 -53.81 12.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.275 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 40.6 tp -82.07 -63.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.385 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -64.71 -72.32 0.15 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.092 -179.793 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.786 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 73.23 152.6 2.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.553 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.974 -179.983 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 79.2 p -145.88 -179.91 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -86.9 -39.48 15.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 51.7 ttm -93.89 138.85 31.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -146.17 143.99 29.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.474 ' HA ' ' CG ' ' A' 1590 ' ' ASN . 4.7 p-10 -93.23 29.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.068 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.51 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 14.3 t -50.11 105.05 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.419 179.578 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 80.52 42.0 10.71 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.81 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -44.62 116.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.868 0.366 . . . . 0.0 111.247 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 63.7 mtt -100.01 153.43 19.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -91.74 177.93 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 -179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.9 147.86 51.91 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.65 -20.81 64.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 68.8 mt -149.41 99.91 2.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.809 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -133.33 105.32 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.739 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 64.6 mt -81.99 10.7 6.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.007 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 73.7 p -86.47 -40.9 14.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 74.5 mt -77.92 130.77 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 87.7 p -88.63 -173.76 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -87.38 1.59 52.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -117.77 -30.76 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 85.4 m -62.98 -37.28 86.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.268 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.412 ' HB2' ' CZ2' ' A' 1626 ' ' TRP . 19.9 ptt180 -98.18 -5.07 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.8 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.552 ' NZ ' ' HA ' ' A' 1653 ' ' ILE . 1.5 tmtp? -84.04 -31.06 25.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.678 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.7 mm-40 -54.03 -27.31 31.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.941 0.401 . . . . 0.0 110.443 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.648 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 89.3 m -74.17 -32.45 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.852 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -67.75 2.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.629 -179.729 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 42.3 t -131.03 -11.97 3.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.659 0.266 . . . . 0.0 111.482 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.648 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.1 mtmt -60.04 153.73 54.17 Favored Pre-proline 0 C--N 1.332 -0.162 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.17 -28.78 73.53 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.678 2.252 . . . . 0.0 112.147 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.55 -12.34 61.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.629 HG13 HG22 ' A' 1533 ' ' THR . 40.7 mm -115.41 135.32 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.194 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' 1603 ' ' GLY . . . -104.25 -67.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.342 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.52 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.3 p90 -98.88 158.12 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.585 -179.297 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.637 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -146.34 98.48 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.258 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.685 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 4.8 p90 -151.68 169.75 21.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.076 0.465 . . . . 0.0 111.942 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 83.1 tttt -102.31 138.04 39.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.702 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.921 HG12 ' HA ' ' A' 1563 ' ' LEU . 33.9 m -137.54 175.14 10.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.313 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.468 ' CB ' HD11 ' A' 1564 ' ' LEU . 11.3 t -142.11 142.04 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.806 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.495 HD13 ' HB2' ' A' 1561 ' ' ALA . 38.5 mm -84.77 137.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.624 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 34.5 p -130.84 -42.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.431 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.577 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 71.1 m -119.03 142.39 47.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.322 -179.377 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.8 129.34 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 60.4 m -136.72 139.1 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.63 HG22 HG13 ' A' 1557 ' ' VAL . 90.8 t -121.18 124.97 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 179.844 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -92.29 -82.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -149.74 -71.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 24.5 t -100.4 -32.03 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -108.8 113.0 25.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.63 HG13 HG22 ' A' 1552 ' ' VAL . 32.0 t -82.04 132.07 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.76 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.665 ' HA ' HG22 ' A' 1583 ' ' ILE . 32.6 mmtp -98.99 144.3 28.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.465 -179.319 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.519 ' HB2' ' O ' ' A' 1582 ' ' PHE . 68.1 m-85 -140.46 122.06 15.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.792 179.424 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.577 ' HB2' ' HB2' ' A' 1549 ' ' SER . 14.4 mmmm -107.1 126.32 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.429 179.625 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.495 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -133.03 179.22 6.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.002 0.43 . . . . 0.0 111.652 -179.62 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 6.7 m -128.9 142.18 51.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.921 ' HA ' HG12 ' A' 1545 ' ' VAL . 1.0 OUTLIER -78.43 98.59 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.548 HD13 ' HA ' ' A' 1545 ' ' VAL . 8.0 mp -58.44 -44.04 89.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.663 0.268 . . . . 0.0 111.117 -179.767 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.3 t70 -171.7 143.89 1.76 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.722 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.685 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 63.2 mt -96.1 130.78 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.013 0.435 . . . . 0.0 112.054 -179.452 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.6 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 55.8 m-85 -107.98 -17.47 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.518 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.637 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 86.7 tttt -157.38 113.45 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.799 179.093 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 37.5 m -46.19 147.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.168 0.509 . . . . 0.0 111.666 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.722 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -109.92 135.47 12.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.376 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.595 ' HB2' ' HG2' ' A' 1605 ' ' GLU . 38.6 mt-10 -62.5 -18.85 62.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.625 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' 1605 ' ' GLU . . . -86.6 42.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.509 179.479 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.2 t 53.18 73.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.725 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.722 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -89.52 147.9 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.63 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.439 ' O ' HD13 ' A' 1563 ' ' LEU . 9.9 tp10 -154.81 137.59 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -49.24 117.56 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.626 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.6 t70 65.19 48.45 2.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.967 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.419 ' OG ' HD12 ' A' 1563 ' ' LEU . 60.0 p -88.65 -165.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.539 179.288 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -118.75 117.68 29.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.715 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.583 HD13 HG11 ' A' 1545 ' ' VAL . 28.0 pt -113.35 144.13 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.225 -179.723 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1581 ' ' THR . . . . . 0.42 HG23 ' HD2' ' A' 1560 ' ' LYS . 2.9 m -127.05 100.86 6.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.256 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.644 ' HA ' ' O ' ' A' 1619 ' ' TYR . 50.3 m-85 -98.27 135.42 39.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.702 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.665 HG22 ' HA ' ' A' 1558 ' ' LYS . 35.6 pt -134.47 152.76 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 111.618 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.641 ' NZ ' ' HA ' ' A' 1586 ' ' VAL . 7.9 ptmm? -126.91 170.89 11.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.035 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.547 ' O ' HG12 ' A' 1586 ' ' VAL . 97.7 mttt -93.67 31.05 1.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.113 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.641 ' HA ' ' NZ ' ' A' 1584 ' ' LYS . 4.3 p 46.69 20.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.872 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1587 ' ' THR . . . . . 0.503 HG23 ' O ' ' A' 1585 ' ' LYS . 41.7 p -121.44 -24.14 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.129 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.51 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 13.2 m -60.38 111.82 1.71 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.774 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 78.3 m -95.43 -33.12 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.474 ' CG ' ' HA ' ' A' 1513 ' ' ASP . 4.3 m-20 -79.47 7.0 8.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.185 -179.742 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -137.08 109.4 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.181 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.16 108.68 8.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 89.6 mt -93.37 141.01 28.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 8.3 p -138.18 140.41 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.058 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' 1595 ' ' LYS . 0.0 OUTLIER -67.81 155.2 39.87 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 93.13 -31.31 6.39 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.598 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -95.28 171.84 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 111.322 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -121.82 143.75 49.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -140.56 141.95 35.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.354 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' 1627 ' ' ILE . 57.6 tp -90.06 127.16 36.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.829 179.134 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.52 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.4 mt -122.53 131.54 73.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.174 0.512 . . . . 0.0 112.304 -179.012 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.45 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 31.0 mtm -145.01 115.9 7.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.567 179.006 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.538 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -175.72 -171.73 39.88 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 119.872 -1.156 . . . . 0.0 113.784 -179.255 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -46.89 158.81 0.12 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.94 0.4 . . . . 0.0 111.601 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' 1572 ' ' ALA . 0.0 OUTLIER -81.47 43.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.622 -179.527 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . 50.19 -165.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.097 0.475 . . . . 0.0 111.614 179.449 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' 1607 ' ' LEU . 6.4 mp -94.48 171.23 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.25 179.438 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' 1615 ' ' PHE . 10.6 pt20 -128.78 3.86 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.535 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 1.0 OUTLIER -149.35 79.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.98 0.419 . . . . 0.0 111.541 -179.879 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.601 ' HB3' ' HB3' ' A' 1616 ' ' ARG . 64.7 tttp -67.19 -17.25 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.675 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -116.96 172.54 7.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -73.72 -53.97 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.786 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -94.77 -39.9 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 39.7 t -82.62 172.75 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.559 ' HB2' ' O ' ' A' 1608 ' ' GLN . 45.7 p90 -133.79 139.04 46.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.601 ' HB3' ' HB3' ' A' 1610 ' ' LYS . 31.1 tpt180 -150.65 150.62 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.712 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -104.62 114.4 28.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.459 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.453 HG21 ' HD2' ' A' 1610 ' ' LYS . 47.3 pt -136.02 132.77 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.372 178.763 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' A' 1582 ' ' PHE . 9.3 m-85 -80.09 120.62 80.26 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.395 -178.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -85.55 -168.74 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.834 2.356 . . . . 0.0 112.441 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' 1584 ' ' LYS . 82.3 mt -144.91 103.98 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -129.55 179.0 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.4 p -69.12 -16.19 63.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' 1625 ' ' THR . 1.9 pp -85.7 -10.31 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.097 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.484 ' N ' HD12 ' A' 1624 ' ' LEU . 62.4 m -78.05 110.14 12.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.018 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' 1601 ' ' ILE . 68.6 t-105 -74.54 113.43 11.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' 1600 ' ' LEU . 67.7 mt -131.19 109.29 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.91 120.28 34.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.453 ' O ' ' HD3' ' A' 1631 ' ' PRO . 87.6 t80 -57.96 128.15 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -94.02 107.04 25.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.346 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.557 ' HB2' HD21 ' A' 1643 ' ' LEU . 75.4 Cg_exo -50.14 113.91 1.2 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.586 2.19 . . . . 0.0 112.546 -179.691 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -79.68 -28.87 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.712 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1633 ' ' ASP . . . . . 0.416 ' HB3' ' SG ' ' A' 1636 ' ' CYS . 10.0 m-20 -80.71 127.83 32.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.482 HG22 ' HG ' ' A' 1643 ' ' LEU . 77.1 p -134.49 -28.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 76.1 p -93.11 8.83 38.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' 1633 ' ' ASP . 76.6 m -87.98 101.95 14.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.2 t 59.03 -87.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.243 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 35.2 t -169.78 23.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.808 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 83.4 m -75.81 8.42 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.196 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.743 ' HA ' HD23 ' A' 1643 ' ' LEU . 29.6 pt20 -81.07 9.91 6.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.977 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.1 -27.77 68.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.401 ' CD2' ' HG2' ' A' 1631 ' ' PRO . 65.5 t80 -75.29 -38.05 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.78 ' HA ' HD23 ' A' 1646 ' ' LEU . 2.8 mm? -65.4 -16.63 63.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.47 -21.22 65.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -84.82 -33.34 22.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.78 HD23 ' HA ' ' A' 1643 ' ' LEU . 3.5 mm? -64.65 -32.51 74.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.64 -42.95 99.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.56 -35.74 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.5 ' O ' HG22 ' A' 1653 ' ' ILE . 87.7 t80 -66.69 -31.66 72.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -71.39 -21.7 61.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.398 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -110.26 -3.91 15.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.171 -179.441 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -91.24 -70.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.552 ' HA ' ' NZ ' ' A' 1531 ' ' LYS . 0.0 OUTLIER -57.76 -28.34 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 62.4 t80 -75.44 -52.67 10.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.419 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.8 tt -84.15 -69.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.392 . . . . 0.0 110.826 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 15.1 m120 -54.18 -77.29 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.31 -179.683 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 69.65 151.82 0.59 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.518 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.017 -179.944 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 52.1 m 58.67 -173.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.802 0.334 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.3 m80 59.71 98.85 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 27.2 ttt -165.38 117.47 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -162.98 -70.41 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -163.84 34.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.994 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' 1591 ' ' ALA . 16.1 t -49.73 134.92 19.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.623 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 83.21 -51.77 4.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.26 -179.754 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' A' 1515 ' ' GLY . 23.9 tp60 72.21 -63.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.766 0.426 . . . . 0.0 111.44 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' 1517 ' ' MET . 23.3 ptm 42.41 99.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.23 0.538 . . . . 0.0 111.848 -179.723 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1518 ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' A' 1518 ' ' GLN . 1.7 mp0 -53.37 162.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.217 -179.837 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.38 155.27 15.08 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.06 118.09 23.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.769 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.9 mt 59.63 95.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -142.97 121.58 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 88.3 mt -86.21 15.68 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 77.1 p -86.45 -26.17 24.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.73 138.93 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.087 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 35.9 t -89.64 177.31 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -78.07 -30.8 49.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.225 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.6 mt-10 -82.77 -38.43 23.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 77.4 m -57.75 -45.86 85.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -70.55 -17.72 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.484 ' HD3' ' O ' ' A' 1531 ' ' LYS . 1.5 tmtp? -86.57 -23.4 25.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.655 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.9 mm-40 -55.94 -18.43 9.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.666 179.719 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.738 HG22 HG13 ' A' 1539 ' ' ILE . 37.9 m -91.02 -28.37 18.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.581 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -73.18 1.48 9.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.503 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.7 t -126.62 -0.8 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.263 -179.692 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.681 ' HG3' ' HA ' ' A' 1533 ' ' THR . 98.1 mttt -62.92 145.79 95.99 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.804 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.41 -17.9 29.04 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.51 2.14 . . . . 0.0 112.024 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.682 ' HG3' ' HE2' ' A' 1604 ' ' LYS . 36.1 tt0 -85.0 -64.06 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.738 HG13 HG22 ' A' 1533 ' ' THR . 43.6 mm -53.84 109.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.331 -179.735 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.863 ' HB3' ' H ' ' A' 1605 ' ' GLU . . . -78.9 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.41 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.555 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 6.3 p90 -99.71 155.84 17.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.803 -179.049 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -148.12 89.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.804 179.274 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.753 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 10.1 p90 -141.95 166.61 24.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 112.067 -178.8 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.515 ' NZ ' ' HB3' ' A' 1544 ' ' LYS . 4.6 ttpm? -105.51 134.0 49.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.259 179.508 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.823 HG12 ' HA ' ' A' 1563 ' ' LEU . 36.0 m -125.78 -174.77 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 111.606 -179.63 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.75 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.4 t -150.78 122.72 8.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.772 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.452 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 43.6 mm -64.74 143.07 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 47.7 p -128.63 -32.52 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.439 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.406 ' HA ' ' HE3' ' A' 1595 ' ' LYS . 74.1 m -150.66 152.18 33.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.346 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.434 HG12 ' HD1' ' A' 1559 ' ' TYR . 75.8 mt -128.84 137.42 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 60.7 m -138.13 140.56 39.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.518 HG23 HG22 ' A' 1557 ' ' VAL . 9.3 p -142.8 144.77 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -113.3 -66.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -132.99 -71.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' 1556 ' ' PHE . 6.5 m -111.96 -51.23 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.284 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.441 ' N ' HG23 ' A' 1555 ' ' VAL . 90.4 m-85 -71.67 124.34 24.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.821 179.875 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.518 HG22 HG23 ' A' 1552 ' ' VAL . 24.8 t -108.94 110.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.792 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' 1558 ' ' LYS . 0.7 OUTLIER -81.66 151.6 27.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.731 179.766 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.434 ' HD1' HG12 ' A' 1550 ' ' ILE . 93.5 m-85 -135.69 111.46 9.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -87.82 108.83 19.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.149 179.379 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -133.4 156.87 46.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.006 0.431 . . . . 0.0 111.71 -179.366 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.8 m -105.35 136.02 45.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.863 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.823 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.7 tt -67.44 140.96 57.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.841 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' 1546 ' ' SER . 86.3 mt -98.25 -45.3 6.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.999 -179.609 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.2 t70 -167.7 138.57 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.795 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.753 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.5 mt -101.61 122.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.96 0.409 . . . . 0.0 111.914 -179.479 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -97.83 -15.68 20.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.529 178.754 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.411 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 61.9 tttm -153.46 111.16 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.771 179.328 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 58.8 m -43.47 144.65 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.165 0.507 . . . . 0.0 112.058 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.805 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.52 132.33 10.92 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.559 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.477 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 39.9 mt-10 -60.6 -23.71 64.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.449 179.68 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.572 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -96.24 66.42 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.581 179.464 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' 1573 ' ' VAL . 7.6 p 38.31 83.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.07 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.805 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.25 130.32 56.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.603 179.471 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' 1578 ' ' SER . 46.1 mt-10 -139.16 155.43 47.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.95 131.68 50.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.791 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.726 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.1 p30 45.84 37.45 3.54 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.614 179.681 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.559 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 53.9 p -77.86 -168.7 1.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 179.515 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -112.52 125.72 54.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.36 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.59 HD11 HG11 ' A' 1545 ' ' VAL . 9.3 pt -143.47 147.22 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.023 0.439 . . . . 0.0 111.963 -179.282 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 40.6 m -124.37 116.61 22.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.661 179.731 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.854 ' HB3' HD21 ' A' 1621 ' ' LEU . 51.9 m-85 -93.18 120.17 33.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.985 0.421 . . . . 0.0 111.607 -179.631 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.5 HG23 ' HA ' ' A' 1620 ' ' PRO . 6.4 tt -99.99 109.43 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.801 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' 1621 ' ' LEU . 25.2 ttpp -104.07 151.24 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.998 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.56 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 67.0 mttm -91.76 151.48 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.672 179.768 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 12.3 p -88.5 -18.13 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 10.2 t -88.32 12.95 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.46 -179.681 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 64.6 m -78.95 146.54 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 87.4 m -67.62 -73.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.338 -179.738 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -121.15 85.45 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 111.462 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.623 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -153.65 101.7 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.702 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -137.47 155.96 48.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 75.1 mt -133.99 166.86 21.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 73.6 t -128.56 140.79 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' 1549 ' ' SER . 87.6 tttt -77.15 140.23 40.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.97 61.12 6.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.594 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.545 ' HA ' ' HD2' ' A' 1632 ' ' ARG . 35.1 ttm180 -163.85 153.23 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.0 110.719 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.565 ' HG2' HD11 ' A' 1564 ' ' LEU . 97.4 mt-30 -88.57 133.36 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.034 0.445 . . . . 0.0 111.483 -179.565 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.504 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 68.1 m-85 -143.25 125.27 15.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.814 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 51.5 tp -75.58 140.19 42.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.263 179.338 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.562 ' HA ' ' O ' ' A' 1626 ' ' TRP . 97.5 mt -139.69 127.58 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.149 0.499 . . . . 0.0 111.971 -179.404 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.581 ' SD ' ' HB2' ' A' 1534 ' ' ALA . 32.6 mtm -136.44 120.34 17.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.774 179.12 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.449 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -160.51 179.49 35.97 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.161 -1.018 . . . . 0.0 113.445 -178.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.682 ' HE2' ' HG3' ' A' 1538 ' ' GLU . 9.2 ttpt -84.2 92.57 7.98 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.701 0.259 . . . . 0.0 111.701 -179.494 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.863 ' H ' ' HB3' ' A' 1540 ' ' ALA . 13.1 pt-20 40.78 -161.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.128 179.06 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.553 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -128.44 -170.01 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.055 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.535 ' HG ' ' HD3' ' A' 1620 ' ' PRO . 85.0 mt -86.07 -165.93 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -169.21 98.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.188 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.641 ' HB ' ' HG3' ' A' 1616 ' ' ARG . 5.1 mm -108.48 -9.26 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.554 -179.289 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 51.3 mtmt 57.0 -173.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -169.89 -74.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 46.5 t30 -168.71 -63.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -110.88 -16.03 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.804 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.7 t -148.37 109.5 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.806 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.468 ' HB2' ' HD2' ' A' 1617 ' ' TYR . 12.4 m-85 -63.18 166.56 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.677 -179.892 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.641 ' HG3' ' HB ' ' A' 1609 ' ' ILE . 26.0 mmm180 -76.23 -71.85 0.36 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.846 0.355 . . . . 0.0 111.179 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.53 ' HA ' ' O ' ' A' 1607 ' ' LEU . 27.8 m-85 59.1 20.51 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.211 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.496 HD12 HG21 ' A' 1583 ' ' ILE . 19.0 pt -59.43 129.44 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.879 0.371 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.553 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 5.9 m-85 -79.22 110.5 15.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.064 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1620 ' ' PRO . . . . . 0.535 ' HD3' ' HG ' ' A' 1607 ' ' LEU . 80.3 Cg_endo -74.88 151.36 40.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.56 2.173 . . . . 0.0 112.343 -179.829 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.854 HD21 ' HB3' ' A' 1582 ' ' PHE . 3.8 mm? -103.59 99.91 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 179.564 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.505 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 9.1 m-20 -123.01 -163.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.8 p -70.5 -31.48 68.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.563 -179.42 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 2.4 pt? -78.42 9.85 3.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.504 HG22 HG13 ' A' 1627 ' ' ILE . 68.2 m -95.29 117.85 31.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.562 ' O ' ' HA ' ' A' 1601 ' ' ILE . 51.0 t-105 -90.47 101.08 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.697 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.568 HD11 HD12 ' A' 1621 ' ' LEU . 75.2 mt -109.92 128.88 65.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -143.75 115.2 8.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.461 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 7.5 t80 -58.53 127.72 33.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t90 -113.08 100.27 50.92 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.415 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.478 ' HB2' HD11 ' A' 1643 ' ' LEU . 88.5 Cg_exo -47.13 106.39 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.674 2.249 . . . . 0.0 112.456 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.545 ' HD2' ' HA ' ' A' 1597 ' ' ARG . 76.9 mtp180 -55.25 -39.0 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.69 157.83 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.075 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.762 HG22 HD13 ' A' 1643 ' ' LEU . 65.1 p -129.17 -11.65 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 7.3 t -132.93 -22.23 2.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.344 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 51.4 t -60.22 -44.87 94.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 80.1 p -105.69 14.02 28.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 55.3 m 59.92 16.54 5.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 51.8 t -91.43 116.28 28.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -149.83 -21.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.83 83.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.494 ' O ' ' HG ' ' A' 1646 ' ' LEU . 90.5 t80 -78.1 -26.28 47.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.664 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.762 HD13 HG22 ' A' 1634 ' ' THR . 77.2 mt -82.66 -0.77 48.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.066 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.22 -38.0 22.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.74 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -78.09 -28.17 48.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.578 HD12 HD23 ' A' 1643 ' ' LEU . 70.5 mt -68.06 -34.66 76.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.661 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.79 -42.49 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.678 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.45 -41.31 97.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.689 179.726 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 67.9 t80 -61.99 -34.99 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.027 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.16 82.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.361 -179.748 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -87.59 -3.59 58.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -82.56 -73.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.084 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.48 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.6 tp -54.75 -26.82 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.065 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 75.3 t80 -76.01 -51.21 12.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 30.2 tp -92.85 -65.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.296 -179.463 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -55.43 -74.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.452 -179.505 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 70.43 139.2 0.15 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.337 -179.64 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.161 -179.901 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 53.7 m -92.7 -3.68 54.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 67.4 m80 -103.18 -44.97 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.2 tpt -98.52 -87.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -178.13 -173.54 0.37 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -69.04 96.13 0.77 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.594 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 12.4 t -86.33 107.3 17.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.711 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.79 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 87.8 41.03 6.49 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.325 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' 1516 ' ' GLN . 16.0 pt20 -52.11 112.16 0.74 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 82.0 mtp -84.59 151.52 24.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1518 ' ' GLN . . . . . 0.487 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 4.0 pt20 -91.04 176.07 6.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 15.2 mm-40 -72.48 154.89 40.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -86.08 131.02 34.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' 1523 ' ' LEU . 89.9 mt 57.93 24.0 10.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.099 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.633 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 25.9 t70 -57.89 107.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' 1521 ' ' LEU . 77.3 mt -100.74 99.01 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -179.719 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 10.0 t -176.14 -18.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.966 179.758 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.2 mt -84.69 137.4 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 69.9 m -90.91 151.88 20.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -56.51 -55.08 38.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.795 179.636 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' 1532 ' ' GLN . 5.5 pt-20 -57.05 -40.22 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.136 179.808 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.7 m -57.45 -39.88 77.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 45.6 ttm105 -77.41 -24.42 50.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.614 ' NZ ' ' HB2' ' A' 1658 ' ' CYS . 26.9 tptp -78.43 -24.53 46.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' 1528 ' ' GLU . 54.8 mt-30 -77.79 5.14 10.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.812 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.764 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 57.9 m -122.73 -25.25 4.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -77.11 1.27 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.228 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 51.2 t -118.87 -22.11 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.764 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.1 mtmt -59.11 155.64 32.57 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.6 -13.79 11.6 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.633 2.222 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.502 ' C ' HD12 ' A' 1539 ' ' ILE . 37.9 tt0 -74.04 -33.94 63.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.845 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.9 mp -109.34 110.91 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.362 -179.496 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.713 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -84.82 -40.34 17.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.029 179.673 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.518 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -127.45 162.19 26.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.616 -179.468 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -154.89 102.25 2.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.801 179.187 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.762 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.4 p90 -144.42 173.87 11.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.118 0.485 . . . . 0.0 111.964 -178.793 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.62 ' HG2' HD12 ' A' 1564 ' ' LEU . 38.2 ttmt -108.04 129.34 55.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.307 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.729 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.4 m -125.96 179.69 3.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.301 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 27.6 t -150.68 116.16 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.606 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 34.0 mm -62.53 147.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 179.717 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 4.4 t -152.12 -9.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 111.654 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.811 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 51.7 m -150.37 133.1 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.936 0.398 . . . . 0.0 111.246 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.4 mt -129.57 134.61 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.847 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 91.3 m -134.84 100.7 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.323 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.756 ' HA ' HG13 ' A' 1557 ' ' VAL . 7.6 p -98.96 123.49 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.667 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.85 -72.41 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.073 -179.654 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -163.05 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.071 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.53 HG13 HG13 ' A' 1586 ' ' VAL . 32.4 t -89.89 -45.39 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.224 -179.883 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' 1584 ' ' LYS . 94.0 m-85 -111.92 117.69 33.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.812 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.756 HG13 ' HA ' ' A' 1552 ' ' VAL . 33.1 t -99.3 125.7 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -92.85 117.56 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.777 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 53.0 m-85 -108.38 110.72 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.852 179.52 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.811 ' HB2' ' HB2' ' A' 1549 ' ' SER . 35.0 mmtp -94.69 115.98 28.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.484 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.83 164.45 26.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.376 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 8.9 m -113.35 132.66 55.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.729 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.7 tp -78.59 105.04 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.523 179.653 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.62 HD12 ' HG2' ' A' 1544 ' ' LYS . 81.6 mt -56.16 -45.62 79.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.254 -179.391 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.4 t70 -174.64 158.64 2.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.658 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.762 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 61.6 mt -103.31 133.63 46.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 112.063 -179.626 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.593 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 96.5 m-85 -107.45 -18.6 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.082 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.522 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 23.6 tptm -153.18 104.7 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.634 179.146 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 15.0 t -44.54 150.67 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.028 0.442 . . . . 0.0 111.703 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.681 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -96.88 140.48 15.08 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.406 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.713 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 40.8 mt-10 -52.15 -32.37 35.47 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.994 0.426 . . . . 0.0 110.106 179.669 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.444 ' HB1' ' CE2' ' A' 1617 ' ' TYR . . . -87.75 45.78 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.758 178.779 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' 1573 ' ' VAL . 7.7 p 41.11 82.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.698 -179.403 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.681 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -86.14 144.47 27.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.59 179.466 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' 1563 ' ' LEU . 39.5 tt0 -130.7 145.23 51.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.74 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -60.05 153.2 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.551 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.593 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.5 p30 46.28 31.19 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.382 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 49.6 p -69.29 -166.89 0.1 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.805 179.579 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -126.89 95.9 4.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.584 179.598 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.639 HD13 HG11 ' A' 1545 ' ' VAL . 25.4 pt -89.63 152.65 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.557 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1581 ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' 1559 ' ' TYR . 8.2 m -135.24 98.2 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.76 179.546 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.777 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 25.6 m-85 -71.48 110.9 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.251 0.548 . . . . 0.0 110.553 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.696 HG13 HD12 ' A' 1618 ' ' ILE . 4.2 mm -89.8 121.72 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.797 -179.605 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.724 ' HG3' ' HB2' ' A' 1588 ' ' CYS . 40.3 ttpt -116.17 152.16 34.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.502 ' NZ ' ' HB2' ' A' 1585 ' ' LYS . 10.0 mtmp? -124.23 177.61 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.53 HG13 HG13 ' A' 1555 ' ' VAL . 27.9 m -62.7 -26.7 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.37 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 81.2 p -75.0 -39.97 60.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.724 ' HB2' ' HG3' ' A' 1584 ' ' LYS . 2.7 m -71.0 89.03 0.78 Allowed 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 7.6 t -105.46 -14.01 15.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.27 -23.42 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.79 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -86.72 103.65 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.135 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -142.51 127.17 18.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.405 HD13 HD11 ' A' 1547 ' ' ILE . 92.3 mt -118.15 163.66 16.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.455 ' CG1' ' HD2' ' A' 1597 ' ' ARG . 3.3 p -130.89 134.55 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.606 ' HA ' ' HB ' ' A' 1547 ' ' ILE . 21.4 pttp -67.69 150.69 48.38 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 95.71 -2.39 64.49 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.455 ' HD2' ' CG1' ' A' 1594 ' ' VAL . 91.8 mtt180 -121.79 174.78 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 111.331 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.607 ' HG3' HH21 ' A' 1632 ' ' ARG . 97.1 mt-30 -120.68 140.76 51.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -136.73 143.07 43.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.411 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 2.1 tm? -91.52 114.26 26.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.024 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.617 HD13 HG22 ' A' 1545 ' ' VAL . 2.4 mp -113.38 122.97 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.057 0.456 . . . . 0.0 111.96 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.673 ' HG3' ' HB3' ' A' 1626 ' ' TRP . 2.7 ptm -145.3 114.16 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.307 178.819 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.845 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -173.67 -169.27 35.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.738 -179.478 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 58.4 tptt -48.19 149.32 1.51 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.765 0.317 . . . . 0.0 111.18 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -61.94 174.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.289 -179.809 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -78.03 177.86 7.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.279 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' 1617 ' ' TYR . 4.0 mm? -95.95 -177.22 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.41 ' HG2' ' CE1' ' A' 1617 ' ' TYR . 78.8 mt-30 -141.25 77.69 1.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.851 179.769 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.595 HG22 ' H ' ' A' 1616 ' ' ARG . 9.6 tp -54.1 -38.92 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.725 -179.087 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.651 ' H ' ' HA ' ' A' 1615 ' ' PHE . 50.5 tptt 56.32 12.37 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1611 ' ' TYR . . . . . 0.574 ' HB3' HG13 ' A' 1609 ' ' ILE . 82.3 t80 -118.15 141.94 47.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.722 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 27.5 t-20 61.13 107.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1613 ' ' ALA . . . . . 0.403 ' HB3' ' NH2' ' A' 1616 ' ' ARG . . . 58.79 28.08 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.655 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 23.3 t 69.0 -175.02 0.2 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.651 ' HA ' ' H ' ' A' 1610 ' ' LYS . 18.2 p90 -46.69 142.99 2.95 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.199 -179.849 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.595 ' H ' HG22 ' A' 1609 ' ' ILE . 24.0 tpp180 -110.98 -22.85 11.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 -179.81 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' 1607 ' ' LEU . 5.2 m-85 53.13 60.8 3.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.083 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.696 HD12 HG13 ' A' 1583 ' ' ILE . 33.4 pt -83.44 149.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.798 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' 1582 ' ' PHE . 68.5 m-85 -106.27 109.14 62.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.003 -179.612 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.93 175.76 9.29 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.499 2.133 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' 1582 ' ' PHE . 93.2 mt -130.9 59.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.782 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.5 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 10.3 m-20 -78.37 -165.8 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.015 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.7 p -78.39 -31.41 48.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.753 -179.328 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 2.1 pt? -75.59 4.51 7.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.744 0.306 . . . . 0.0 111.083 -179.575 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 58.9 m -89.7 109.42 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.017 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.673 ' HB3' ' HG3' ' A' 1602 ' ' MET . 30.9 t-105 -78.33 113.73 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.802 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 64.9 mt -120.69 113.01 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.626 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 35.3 tt0 -114.04 150.32 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.492 ' O ' ' HD3' ' A' 1631 ' ' PRO . 27.3 t80 -90.35 122.01 32.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.153 179.423 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -101.95 102.13 22.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' 1629 ' ' TYR . 42.5 Cg_exo -56.84 108.37 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.594 2.196 . . . . 0.0 112.303 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.607 HH21 ' HG3' ' A' 1598 ' ' GLN . 36.0 ttm180 -70.97 -24.48 62.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -88.6 146.92 24.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.451 HG22 HD12 ' A' 1643 ' ' LEU . 81.9 p -132.67 -9.25 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 6.8 t -62.89 -23.96 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.564 ' HB3' ' HB3' ' A' 1639 ' ' CYS . 52.2 t -79.08 132.04 36.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 54.2 m -81.14 -20.8 40.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 46.7 t -93.34 -5.54 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.564 ' HB3' ' HB3' ' A' 1636 ' ' CYS . 52.6 t -111.47 -28.38 8.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -62.81 -25.79 68.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.73 70.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.317 -179.766 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 67.9 t80 -66.44 -45.38 80.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.466 HD21 ' HD2' ' A' 1631 ' ' PRO . 83.5 mt -70.3 -12.6 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.68 -57.99 3.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -69.55 -16.48 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.658 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 58.8 tp -93.89 -18.54 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.629 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.46 -43.99 93.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.04 -49.6 76.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.65 179.733 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 90.4 t80 -66.29 -25.08 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.701 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -62.85 -27.41 69.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.196 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -116.79 -6.01 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' 1656 ' ' ASN . 21.4 t70 -81.19 -9.51 59.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.78 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.434 HD13 ' HE2' ' A' 1531 ' ' LYS . 5.4 tp -107.53 -31.89 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.769 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 44.2 t80 -78.87 -46.7 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.008 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.86 -61.0 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.875 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.0 m-20 -71.48 -72.06 0.24 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.253 -179.48 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.41 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 75.29 -165.62 54.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.353 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A 1658 ' ' CYS . . . . . 0.614 ' HB2' ' NZ ' ' A' 1531 ' ' LYS . 42.6 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 75.4 p -137.7 -60.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -160.45 139.1 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -139.85 136.26 33.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -147.81 108.67 4.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -110.57 118.09 35.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.028 0.442 . . . . 0.0 111.353 -179.706 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.571 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 29.5 p -70.23 -138.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.189 179.214 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -38.06 -32.37 0.12 Allowed Glycine 0 N--CA 1.457 0.055 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.669 179.157 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 53.6 tt0 66.77 112.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.882 0.373 . . . . 0.0 111.198 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.441 ' HG3' ' H ' ' A' 1592 ' ' GLU . 21.0 mmt -98.43 153.47 18.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.686 179.817 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -100.88 -177.22 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -77.04 164.58 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.223 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -88.74 127.48 35.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 65.0 mt 54.87 86.34 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -117.54 100.49 7.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 64.8 mt -89.47 91.21 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.245 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 9.1 t -177.63 -24.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 72.2 mt -82.98 108.6 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 53.6 m -61.05 153.94 24.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.26 -10.49 58.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.5 mt-10 -90.69 -36.36 14.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.3 m -58.16 -54.76 43.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.714 HH12 HD23 ' A' 1646 ' ' LEU . 4.4 ptm180 -70.92 -11.64 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.831 ' HE2' HD13 ' A' 1653 ' ' ILE . 26.8 tptp -83.39 -30.58 27.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.3 mm-40 -59.92 -17.45 37.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.706 HG23 ' HE2' ' A' 1536 ' ' LYS . 67.5 m -85.96 -29.15 23.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.699 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.09 84.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.251 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.0 t -100.16 8.45 43.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.975 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.764 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 33.6 ttpt -68.09 135.41 91.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.668 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1537 ' ' PRO . . . . . 0.447 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 68.1 Cg_exo -51.48 -53.07 7.71 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.824 2.349 . . . . 0.0 113.126 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.764 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.6 pt-20 -59.19 -16.73 22.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.361 -179.516 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.61 HD12 ' HA2' ' A' 1603 ' ' GLY . 43.4 mm -95.57 142.98 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.031 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -115.0 -65.3 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.473 -179.619 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.514 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 4.7 p90 -99.8 158.54 15.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.761 -179.18 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.75 84.32 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.154 179.267 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.681 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 27.4 p90 -134.71 170.04 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.63 -179.252 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.656 ' HB2' ' HZ2' ' A' 1544 ' ' LYS . 0.0 OUTLIER -114.88 144.66 43.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.232 179.487 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.874 HG12 ' HA ' ' A' 1563 ' ' LEU . 11.3 m -137.89 -177.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.943 0.401 . . . . 0.0 111.392 -179.501 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.43 ' CB ' HD11 ' A' 1564 ' ' LEU . 19.0 t -143.62 128.11 17.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.707 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.509 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 44.0 mm -57.58 133.28 22.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 68.2 p -116.23 -32.64 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.514 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 72.2 m -154.12 148.31 25.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.353 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.6 mt -116.8 111.74 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.81 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1551 ' ' THR . . . . . 0.752 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 61.2 m -92.45 133.12 36.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 11.2 p -145.66 142.31 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -126.02 -74.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -146.38 -66.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 37.2 t -104.15 -52.12 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -72.37 147.09 46.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.417 ' HB ' ' HG3' ' A' 1584 ' ' LYS . 43.6 t -129.31 146.51 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.729 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.752 ' HB2' ' HB ' ' A' 1551 ' ' THR . 94.5 mttt -137.92 155.54 48.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.293 -179.589 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.601 ' HE2' ' HD3' ' A' 1584 ' ' LYS . 99.0 m-85 -142.8 105.16 4.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.797 179.843 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -89.45 129.11 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.327 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -141.23 156.59 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.022 0.439 . . . . 0.0 111.863 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.6 m -97.08 140.77 31.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.825 179.48 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.874 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.2 tt -74.46 126.44 30.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.949 179.236 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.615 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.2 mp -84.33 -45.97 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.755 0.312 . . . . 0.0 110.962 -179.879 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.9 t70 -168.56 145.69 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.681 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 57.0 mt -105.86 119.71 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.746 -179.758 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -91.78 -19.16 22.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.301 0.572 . . . . 0.0 109.622 179.014 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.593 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.4 tttp -149.48 112.25 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.843 179.386 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 95.3 m -45.05 143.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.17 0.51 . . . . 0.0 111.969 -179.146 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.806 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -102.34 137.25 13.26 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.256 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.552 ' HB2' ' HB2' ' A' 1605 ' ' GLU . 12.7 mm-40 -57.6 -20.06 30.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 110.561 179.767 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.447 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -91.22 53.66 2.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.46 179.363 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' 1573 ' ' VAL . 7.2 p 41.53 41.42 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.694 -179.791 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.806 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -62.24 129.58 41.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.936 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.483 ' HB2' ' OG ' ' A' 1578 ' ' SER . 45.4 mt-10 -132.97 143.35 49.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -54.88 122.68 11.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.661 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.696 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.6 t70 67.97 56.13 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.483 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 55.0 m -105.16 -177.85 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.543 179.362 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -109.66 122.57 47.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.39 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.66 HD11 HG11 ' A' 1545 ' ' VAL . 5.5 pt -137.27 137.64 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 112.027 -179.37 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 39.6 m -112.09 132.13 55.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.342 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.442 ' CZ ' HD13 ' A' 1601 ' ' ILE . 29.5 m-85 -113.42 101.38 9.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.416 -179.585 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.752 HG22 ' HG2' ' A' 1558 ' ' LYS . 41.0 pt -88.79 167.21 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.677 ' HB3' HD12 ' A' 1621 ' ' LEU . 14.4 ptmm? -168.17 -177.01 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.952 0.406 . . . . 0.0 111.068 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 94.3 mttt -126.82 158.91 35.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 13.6 p -65.85 -11.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.024 0.44 . . . . 0.0 110.658 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.6 p -60.44 -26.74 66.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.494 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 52.1 t -64.18 134.54 55.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.755 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 12.1 m -126.2 53.42 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -173.44 -10.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.571 ' HB2' ' SG ' ' A' 1514 ' ' CYS . . . -61.87 137.15 58.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.896 0.379 . . . . 0.0 111.388 -179.869 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1592 ' ' GLU . . . . . 0.441 ' H ' ' HG3' ' A' 1517 ' ' MET . 41.1 tt0 -158.01 106.52 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.798 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 97.2 mt -131.4 157.51 43.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.026 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.447 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 66.4 t -134.94 126.3 46.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.017 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' 1595 ' ' LYS . 4.8 tmmm? -65.21 116.67 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.708 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 119.47 -19.02 9.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.52 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 91.9 mtt180 -90.51 177.11 6.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.028 0.442 . . . . 0.0 111.317 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -118.62 144.45 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.761 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -142.04 141.68 32.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.152 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.858 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 62.6 tp -82.69 145.3 29.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.228 179.322 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.442 HD13 ' CZ ' ' A' 1582 ' ' PHE . 82.2 mt -137.79 122.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.066 0.46 . . . . 0.0 111.712 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.435 ' O ' ' HB3' ' A' 1626 ' ' TRP . 56.9 mtp -143.49 112.84 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.05 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.61 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -171.08 -178.29 41.49 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 119.785 -1.198 . . . . 0.0 113.914 -179.321 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.703 ' HD3' ' N ' ' A' 1605 ' ' GLU . 13.7 tmtt? -60.22 157.22 13.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.386 -0.407 . . . . 0.0 111.267 -179.609 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.703 ' N ' ' HD3' ' A' 1604 ' ' LYS . 35.4 tt0 -49.1 156.39 0.54 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.297 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.475 ' N ' ' HG2' ' A' 1605 ' ' GLU . . . -71.9 -169.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.216 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 94.9 mt -88.96 -165.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.235 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -150.1 100.61 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.323 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.472 ' HB ' ' HB3' ' A' 1616 ' ' ARG . 2.7 mm -112.82 -16.22 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.336 -179.306 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.834 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 59.3 mttp 59.08 175.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.045 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 76.5 t80 -153.07 -71.42 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.798 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -161.12 -63.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -112.02 -4.82 14.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.802 179.751 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.1 t -152.88 130.55 11.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.834 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 44.0 m-85 -58.28 145.98 35.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.811 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.472 ' HB3' ' HB ' ' A' 1609 ' ' ILE . 79.2 ttt180 -96.68 105.6 17.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -98.91 118.87 36.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.216 -179.777 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.598 HD12 HD13 ' A' 1583 ' ' ILE . 31.3 pt -137.08 143.02 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.805 179.625 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 24.5 m-85 -100.41 124.26 43.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.439 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.52 -8.57 19.56 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.624 2.216 . . . . 0.0 112.453 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' 1584 ' ' LYS . 95.6 mt 60.01 103.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.345 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.556 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.8 m-20 -144.19 174.73 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.729 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.0 p -60.09 -13.71 13.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.576 HD11 ' H ' ' A' 1604 ' ' LYS . 0.1 OUTLIER -69.02 -47.59 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 179.755 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' 1624 ' ' LEU . 78.9 m -74.97 115.25 14.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.624 -179.43 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.435 ' HB3' ' O ' ' A' 1602 ' ' MET . 35.9 t-105 -72.75 119.98 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.65 179.557 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.418 HG21 ' SD ' ' A' 1517 ' ' MET . 56.1 mt -118.13 140.73 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.858 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -135.51 153.4 51.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.755 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.52 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 19.4 t80 -92.08 109.61 20.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.485 ' CE2' HD13 ' A' 1646 ' ' LEU . 12.1 t-105 -90.88 108.14 25.71 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.227 179.515 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.704 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 54.7 Cg_exo -51.49 99.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.408 2.072 . . . . 0.0 112.439 -179.626 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.484 ' HD3' ' O ' ' A' 1632 ' ' ARG . 4.2 tmt_? -64.13 -23.56 67.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.653 179.833 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 4.4 p30 -90.49 135.57 33.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.747 HG22 ' HG ' ' A' 1643 ' ' LEU . 79.9 p -137.32 -31.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.981 179.844 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 65.3 p 49.96 23.11 1.0 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.574 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.0 t -141.27 -73.01 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 78.8 p -168.27 -56.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.2 p -163.01 6.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.626 ' HA ' ' HB3' ' A' 1643 ' ' LEU . 52.2 t -141.34 129.2 21.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.923 ' H ' ' HB2' ' A' 1643 ' ' LEU . 6.2 tp-100 -151.61 -94.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.216 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -93.59 -86.29 0.26 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.782 0.325 . . . . 0.0 110.561 179.848 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.704 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 31.2 t80 -78.73 -7.56 57.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.923 ' HB2' ' H ' ' A' 1640 ' ' GLN . 2.6 mm? -70.87 -5.09 27.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.115 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -90.43 -37.89 13.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -78.74 -14.95 59.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.714 HD23 HH12 ' A' 1530 ' ' ARG . 81.9 mt -82.1 -22.59 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.717 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -74.5 -40.35 61.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1648 ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' 1652 ' ' ASP . 39.9 tt0 -66.18 -22.89 66.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.467 ' O ' HG22 ' A' 1653 ' ' ILE . 73.2 t80 -96.12 -24.13 16.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.66 -77.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.461 -179.756 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -21.29 59.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.366 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' 1648 ' ' GLU . 16.7 t70 -59.56 -76.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.176 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.831 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.4 tp -58.41 -29.88 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.016 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 54.5 t80 -67.27 -37.53 83.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.206 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 34.0 tp -105.49 -71.64 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.458 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 11.7 m120 -55.5 -68.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.257 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.692 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 68.69 -172.79 35.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.986 179.939 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 54.8 m -95.05 -59.23 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -84.71 157.35 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 94.9 mmm -93.47 139.77 30.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -116.69 149.28 40.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -85.78 45.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.277 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.521 ' O ' ' HB2' ' A' 1590 ' ' ASN . 40.6 t -51.56 155.76 1.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.432 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 48.66 34.73 15.15 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.603 -178.735 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -48.22 -36.3 13.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.201 -0.499 . . . . 0.0 111.346 -179.54 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 82.8 mtp 55.05 -169.15 0.08 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1518 ' ' GLN . . . . . 0.413 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 12.0 pt20 -131.12 167.54 18.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.77 176.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -96.52 142.05 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.427 HD22 ' SG ' ' A' 1639 ' ' CYS . 92.8 mt 57.24 22.59 7.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -56.82 105.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.439 HD23 ' HD1' ' A' 1642 ' ' PHE . 69.1 mt -94.78 5.01 53.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 74.1 p -81.73 3.86 24.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 83.0 mt -122.87 123.01 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.003 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1526 ' ' SER . . . . . 0.422 ' HB3' ' OG1' ' A' 1529 ' ' THR . 38.2 t -81.99 175.24 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -66.71 -56.98 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.777 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.3 mt-10 -63.93 -19.14 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1529 ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' 1526 ' ' SER . 96.3 m -56.71 -42.14 78.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' 1530 ' ' ARG . 27.1 ptt85 -106.78 -16.51 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.777 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 20.4 tptm -66.65 -44.93 80.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.71 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -61.1 -16.47 44.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.039 0.447 . . . . 0.0 110.202 179.538 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.783 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 60.6 m -76.42 -33.84 58.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.56 179.514 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -58.95 -21.57 58.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.776 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 86.6 m -83.73 -26.47 29.7 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.04 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.783 ' HE2' ' HA ' ' A' 1533 ' ' THR . 63.1 mttm -55.62 149.72 29.04 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.72 -18.8 32.24 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.493 2.129 . . . . 0.0 112.086 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.23 -22.96 60.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.624 HG13 HG22 ' A' 1533 ' ' THR . 40.9 mm -95.29 102.17 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.868 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.72 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.385 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.868 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.8 p90 -140.24 162.35 35.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.27 0.557 . . . . 0.0 112.051 -179.48 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1542 ' ' ALA . . . . . . . . . . . . . . . -147.79 96.53 2.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.653 179.307 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.678 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.7 p90 -144.15 -178.75 6.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.393 0.616 . . . . 0.0 112.445 -178.623 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.681 ' HZ2' ' HB3' ' A' 1598 ' ' GLN . 53.9 tttp -118.68 133.47 55.83 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.235 179.631 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.817 HG12 ' HA ' ' A' 1563 ' ' LEU . 24.7 m -131.31 -177.25 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.995 0.426 . . . . 0.0 111.526 -179.58 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 16.4 t -146.46 126.9 14.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' 1561 ' ' ALA . 47.0 mm -70.85 141.35 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.728 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 62.6 p -121.1 -44.55 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.483 -179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 69.5 m -142.52 166.39 24.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 111.412 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.441 HG12 ' HD1' ' A' 1559 ' ' TYR . 79.1 mt -131.12 120.14 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.78 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1551 ' ' THR . . . . . 0.799 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 86.3 m -95.51 121.97 37.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 96.6 t -112.46 123.18 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -110.21 -75.36 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.693 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -168.75 -72.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.67 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 21.8 t -96.85 -35.63 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' 1584 ' ' LYS . 86.4 m-85 -106.93 115.72 30.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' 1583 ' ' ILE . 47.1 t -89.29 144.48 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.878 ' HG2' HG22 ' A' 1583 ' ' ILE . 88.4 mttt -127.97 157.07 41.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 111.305 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.447 ' HE2' ' HZ2' ' A' 1584 ' ' LYS . 97.9 m-85 -140.3 123.34 16.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -94.4 110.09 21.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.565 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -126.93 171.27 11.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.313 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.3 m -128.65 139.63 52.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.817 ' HA ' HG12 ' A' 1545 ' ' VAL . 0.1 OUTLIER -68.78 138.34 54.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.195 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.531 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.6 mp -104.24 -42.24 5.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.066 0.46 . . . . 0.0 110.525 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.0 t70 -168.22 142.24 3.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.863 179.243 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.678 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 39.5 mt -116.48 135.32 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -178.751 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -106.01 -21.32 13.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.428 -0.805 . . . . 0.0 108.976 178.318 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 63.6 tttm -142.65 106.9 4.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.26 179.054 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1569 ' ' THR . . . . . 0.79 HG22 ' H ' ' A' 1571 ' ' GLU . 7.9 m -42.74 150.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.513 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.868 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -94.41 -11.37 57.24 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.759 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.79 ' H ' HG22 ' A' 1569 ' ' THR . 44.1 mt-10 73.16 -34.28 0.29 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 122.349 0.26 . . . . 0.0 111.306 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -94.96 65.08 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.674 179.72 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 97.3 t 51.28 87.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.42 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' 1566 ' ' ILE . . . -137.61 165.07 27.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.834 179.508 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.855 ' HG2' ' HB3' ' A' 1578 ' ' SER . 9.4 pt-20 -171.33 178.25 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.501 179.83 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' 1577 ' ' ASP . 19.1 ptpt -81.41 36.1 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.505 -179.505 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' A' 1563 ' ' LEU . 5.6 p-10 165.46 37.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.408 -179.425 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.855 ' HB3' ' HG2' ' A' 1575 ' ' GLU . 51.7 p -89.57 -168.03 2.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.087 0.47 . . . . 0.0 111.285 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -113.61 132.56 55.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.236 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.749 HD12 ' HE1' ' A' 1582 ' ' PHE . 32.3 pt -133.84 145.48 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.81 -179.409 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 27.1 m -134.12 122.64 23.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.678 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.749 ' HE1' HD12 ' A' 1580 ' ' ILE . 77.0 m-85 -108.05 135.26 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 111.318 -179.772 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.878 HG22 ' HG2' ' A' 1558 ' ' LYS . 48.9 pt -129.68 151.09 35.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.098 179.717 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.788 ' HD3' HD23 ' A' 1621 ' ' LEU . 23.8 pttm -152.66 -179.92 8.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -100.23 -170.3 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 29.6 m -82.15 -18.27 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 73.7 p -90.74 9.63 29.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.549 ' HB3' ' HD2' ' A' 1584 ' ' LYS . 17.8 t -122.39 16.67 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.712 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1589 ' ' THR . . . . . 0.428 ' HA ' ' HE3' ' A' 1584 ' ' LYS . 67.9 p -67.75 -4.85 13.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.382 -179.879 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' 1514 ' ' CYS . 17.0 m120 -58.4 -22.72 54.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -80.4 110.22 15.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -93.68 110.46 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.44 154.96 28.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.76 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 60.2 t -127.91 129.77 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.34 128.43 35.85 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 98.25 8.75 54.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.744 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.76 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 83.3 mtt180 -112.18 175.18 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.368 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.681 ' HB3' ' HZ2' ' A' 1544 ' ' LYS . 96.5 mt-30 -115.56 140.76 48.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.629 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -141.61 154.98 45.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 111.529 -179.682 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.62 HD13 ' N ' ' A' 1601 ' ' ILE . 2.3 tm? -98.02 135.64 39.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.002 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.62 ' N ' HD13 ' A' 1600 ' ' LEU . 61.6 mt -129.6 133.04 65.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.187 0.517 . . . . 0.0 112.021 -179.385 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1602 ' ' MET . . . . . . . . . . . . . 75.1 mtp -148.56 117.85 6.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.258 179.47 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.491 ' HA2' HD13 ' A' 1539 ' ' ILE . . . 167.31 -165.64 38.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 119.907 -1.14 . . . . 0.0 113.65 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -49.84 159.1 0.42 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.984 0.421 . . . . 0.0 111.695 -179.509 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.486 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 12.4 pt-20 -90.34 -169.26 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.411 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -108.18 141.38 40.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.325 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' 1607 ' ' LEU . 0.7 OUTLIER -130.85 104.1 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.336 179.571 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.603 ' HB2' ' HA ' ' A' 1617 ' ' TYR . 69.4 mm-40 -151.21 -64.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 0.0 110.983 -178.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 41.1 mt 68.35 94.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.033 -179.857 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.614 ' HA ' ' H ' ' A' 1616 ' ' ARG . 22.1 pttm -54.19 105.57 0.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 67.0 t80 -101.3 102.05 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 84.3 m-20 66.9 -77.64 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.015 -179.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -147.36 21.35 1.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.225 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 55.1 m -129.09 -176.49 3.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.042 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1615 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 59.05 -97.15 0.07 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.297 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.614 ' H ' ' HA ' ' A' 1610 ' ' LYS . 96.4 mtt180 68.02 128.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.603 ' HA ' ' HB2' ' A' 1608 ' ' GLN . 5.6 m-85 -57.68 125.2 21.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.306 0.574 . . . . 0.0 112.334 -179.151 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.684 HD12 HD13 ' A' 1583 ' ' ILE . 6.8 pt -148.04 98.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.112 179.302 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' 1582 ' ' PHE . 66.4 m-85 -55.24 130.0 68.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.642 -178.879 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -76.54 143.6 24.52 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.646 2.23 . . . . 0.0 112.117 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.788 HD23 ' HD3' ' A' 1584 ' ' LYS . 36.9 tp -106.65 97.62 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.453 ' HA ' ' SG ' ' A' 1514 ' ' CYS . 9.6 m-20 -120.85 -172.21 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 -179.863 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.1 p -80.71 -17.03 52.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.08 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -32.43 58.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.599 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.479 ' O ' HG13 ' A' 1627 ' ' ILE . 69.1 m -62.17 99.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.087 -179.835 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -59.9 111.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.495 ' HA ' ' O ' ' A' 1600 ' ' LEU . 71.8 mt -125.59 125.72 69.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.413 ' HG3' ' OE1' ' A' 1518 ' ' GLN . 42.4 tt0 -123.94 148.4 46.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.453 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 30.3 t80 -83.6 119.34 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -96.98 115.41 65.72 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.276 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.751 ' HB2' HD11 ' A' 1643 ' ' LEU . 76.4 Cg_exo -49.48 100.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.517 2.145 . . . . 0.0 112.343 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -63.23 -21.72 66.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -130.54 161.04 32.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 111.457 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.436 ' HB ' ' NE2' ' A' 1640 ' ' GLN . 66.6 p -140.17 -55.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.745 179.712 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 62.4 p 50.32 20.43 0.66 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.755 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.486 ' HA ' HE21 ' A' 1640 ' ' GLN . 18.0 p 41.33 30.73 0.13 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.622 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 48.2 t -142.09 -35.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 54.3 m -73.03 -59.9 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.427 ' SG ' HD22 ' A' 1521 ' ' LEU . 53.7 t -169.65 141.87 2.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.008 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.494 ' HA ' HD23 ' A' 1643 ' ' LEU . 19.3 mm-40 -141.74 -8.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -73.81 -8.04 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.22 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' 1646 ' ' LEU . 43.7 t80 -106.28 -27.68 10.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.9 mm? -78.96 -52.6 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.998 -179.875 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -63.68 -15.2 57.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 31.8 t30 -95.1 -38.2 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' 1642 ' ' PHE . 11.3 tp -72.83 -25.47 61.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.635 179.874 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.52 -25.91 66.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.395 179.559 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -62.27 -46.36 89.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.584 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 41.1 t80 -55.07 -30.62 60.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.809 179.715 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -70.56 -48.18 56.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.333 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -71.21 -13.58 61.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.401 -179.364 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.0 -68.33 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 111.047 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.56 ' HB ' ' HE3' ' A' 1531 ' ' LYS . 8.2 tp -58.62 -22.09 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.2 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -82.02 -56.7 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.317 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 42.8 tp -80.31 -61.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 -179.395 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -64.31 -73.1 0.13 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.031 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 94.03 173.57 39.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.901 -179.96 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.0 p -151.41 -1.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -80.16 -61.97 1.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.778 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.15 174.04 11.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -155.32 114.34 3.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.312 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' 1515 ' ' GLY . 8.0 m-20 -63.66 137.65 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 15.6 p -78.18 25.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.352 0.596 . . . . 0.0 110.351 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.75 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 107.82 79.41 1.18 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.68 -179.242 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -47.0 121.42 3.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.261 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' 1591 ' ' ALA . 0.5 OUTLIER -70.64 140.15 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.019 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.44 167.48 5.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 12.9 mm-40 -63.68 163.77 10.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.998 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1520 ' ' GLU . . . . . 0.432 ' HG2' ' HG ' ' A' 1521 ' ' LEU . 41.3 tt0 -95.22 135.41 36.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' 1523 ' ' LEU . 94.4 mt 58.38 21.8 8.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 23.8 t70 -60.63 101.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.772 179.726 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' 1521 ' ' LEU . 72.9 mt -99.38 95.46 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 7.5 t -175.38 -20.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.06 127.51 39.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.4 t -77.13 160.41 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.9 -14.21 62.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.5 mt-10 -90.61 -32.6 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.1 m -62.7 -37.33 86.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -88.03 -10.69 49.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.698 ' HE3' HD13 ' A' 1653 ' ' ILE . 21.7 tptm -86.81 -34.58 19.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.881 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.3 mt-30 -62.48 -13.39 29.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.401 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 42.5 m -88.84 -26.66 21.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.855 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -66.74 -58.9 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.279 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 37.3 t -69.99 -7.71 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.74 ' HZ2' ' HB3' ' A' 1538 ' ' GLU . 27.0 ttpp -62.94 137.93 97.09 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.706 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1537 ' ' PRO . . . . . 0.678 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 12.3 Cg_endo -55.68 -31.05 78.2 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.815 2.344 . . . . 0.0 112.946 -179.497 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.74 ' HB3' ' HZ2' ' A' 1536 ' ' LYS . 10.3 tp10 -64.7 -25.13 67.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.736 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.839 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -105.14 129.38 57.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.53 -41.56 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.435 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.49 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 1.3 p90 -123.83 159.12 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.21 0.529 . . . . 0.0 112.045 -179.258 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -153.24 110.08 3.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.789 179.326 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.692 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 1.3 p90 -156.71 -178.65 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.198 0.523 . . . . 0.0 112.126 -178.75 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.553 ' HG2' HD12 ' A' 1564 ' ' LEU . 63.3 tttm -114.81 135.15 54.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.171 179.823 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.4 m -129.77 174.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 0.0 111.988 -179.314 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.465 ' HB3' HD11 ' A' 1564 ' ' LEU . 75.1 p -143.68 117.54 9.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.609 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' 1561 ' ' ALA . 43.4 mm -55.25 139.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 72.5 p -128.23 -21.66 3.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.478 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.773 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 40.9 t -153.28 158.68 41.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.171 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.2 mt -144.1 116.69 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 89.4 m -110.62 109.45 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.039 179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.719 ' HA ' HG23 ' A' 1557 ' ' VAL . 3.8 p -106.21 123.48 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1553 ' ' GLU . . . . . 0.556 ' HG3' ' H ' ' A' 1554 ' ' ASN . 8.0 tp10 -110.22 174.61 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.426 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1554 ' ' ASN . . . . . 0.556 ' H ' ' HG3' ' A' 1553 ' ' GLU . 34.8 m-80 -54.31 -23.34 14.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.521 -179.686 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 92.5 t -138.64 -74.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.726 0.298 . . . . 0.0 111.633 -179.773 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -77.18 120.04 21.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.238 -179.428 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.719 HG23 ' HA ' ' A' 1552 ' ' VAL . 4.4 p -107.6 115.18 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.816 ' HG3' HG22 ' A' 1583 ' ' ILE . 11.4 mptt -89.78 155.67 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -135.76 130.48 34.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.011 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.773 ' HB3' ' HB3' ' A' 1549 ' ' SER . 16.3 tppt? -108.17 132.01 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.527 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.477 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -138.76 173.46 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 111.635 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.3 m -124.13 127.62 48.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.87 HD21 HG12 ' A' 1566 ' ' ILE . 5.4 tp -69.99 90.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.6 ' H ' ' HA ' ' A' 1545 ' ' VAL . 87.6 mt -48.8 -45.34 40.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.339 -179.114 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.4 t70 -169.32 153.61 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.669 179.774 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.87 HG12 HD21 ' A' 1563 ' ' LEU . 38.2 mt -100.91 130.13 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.253 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.692 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 86.2 m-85 -109.59 -24.29 11.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.306 0.574 . . . . 0.0 109.496 178.504 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.573 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 58.5 tptt -146.69 106.69 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.582 179.28 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1569 ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' 1574 ' ' ALA . 63.9 m -45.71 134.76 7.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.284 0.564 . . . . 0.0 112.1 -178.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.853 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -91.41 131.78 10.95 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.213 179.636 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -59.28 -20.57 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.343 . . . . 0.0 110.799 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.724 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -89.27 44.32 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.638 179.492 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 69.4 t 59.0 95.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.344 -179.723 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.853 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -92.21 144.51 25.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.478 ' HB3' ' HB2' ' A' 1578 ' ' SER . 10.2 tp10 -147.1 138.03 23.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.849 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -55.86 133.77 51.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.133 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.696 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.3 p30 45.6 39.2 4.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.227 0.537 . . . . 0.0 110.912 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.478 ' HB2' ' HB3' ' A' 1575 ' ' GLU . 32.7 t -64.52 -169.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.67 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -123.02 105.22 9.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.617 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.607 HD12 ' HE1' ' A' 1582 ' ' PHE . 36.8 pt -99.33 150.51 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.532 -179.619 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 10.2 m -134.96 105.16 6.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.633 ' HA ' ' O ' ' A' 1619 ' ' TYR . 52.6 m-85 -100.57 117.33 34.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.982 0.42 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.816 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.0 pt -98.88 149.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.047 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.567 ' HB2' HD12 ' A' 1621 ' ' LEU . 36.5 ttpt -133.18 158.98 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.458 ' N ' ' HG2' ' A' 1584 ' ' LYS . 97.4 mttt -108.54 -169.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 27.3 m -95.77 3.7 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 77.8 p -94.31 -5.98 45.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' 1514 ' ' CYS . 42.1 t -84.2 -72.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.595 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 71.8 p 49.0 24.32 0.86 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.072 179.359 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -134.25 -5.61 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 111.1 179.738 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.49 ' HA ' ' SD ' ' A' 1517 ' ' MET . . . -89.06 127.64 35.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -119.47 104.44 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.6 mt -121.22 96.13 4.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.643 179.718 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 43.8 t -74.68 147.7 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.262 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 62.9 tttp -65.3 136.14 56.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.69 33.48 87.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.553 ' HA ' ' HE ' ' A' 1597 ' ' ARG . 2.5 tpm_? -109.8 149.79 29.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.752 0.311 . . . . 0.0 110.749 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.477 ' HB3' ' HZ1' ' A' 1544 ' ' LYS . 89.0 mt-30 -91.09 129.42 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -135.94 150.01 49.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.001 0.429 . . . . 0.0 111.639 -179.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' 1601 ' ' ILE . 5.6 tt -98.82 131.4 44.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.832 179.212 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.582 ' N ' HD23 ' A' 1600 ' ' LEU . 90.3 mt -124.88 128.55 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.127 0.489 . . . . 0.0 112.009 -179.263 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.455 ' O ' ' HB3' ' A' 1626 ' ' TRP . 74.3 mtp -148.23 113.5 5.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.32 179.528 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.839 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.69 179.92 48.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.149 -1.024 . . . . 0.0 113.297 -179.746 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.8 tppp? -55.23 158.43 3.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.757 0.313 . . . . 0.0 111.084 -179.802 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.724 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.4 pt-20 -60.91 175.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -72.01 -173.43 1.03 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.6 mt -131.81 114.39 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.766 ' HB2' ' HB2' ' A' 1615 ' ' PHE . 4.5 pp0? -83.52 135.96 34.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.815 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.477 ' O ' HG12 ' A' 1609 ' ' ILE . 16.8 tt -179.64 36.36 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.245 -179.796 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.587 ' H ' ' H ' ' A' 1616 ' ' ARG . 87.5 tttt -43.12 -71.41 0.08 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.857 0.361 . . . . 0.0 111.245 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 72.1 t80 -155.88 87.12 1.06 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.284 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 26.8 t-20 50.62 -89.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.546 179.547 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -58.56 -61.65 2.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.304 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1614 ' ' SER . . . . . 0.557 ' OG ' ' HD3' ' A' 1610 ' ' LYS . 22.2 t -65.05 -179.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.766 ' HB2' ' HB2' ' A' 1608 ' ' GLN . 8.6 p90 -149.48 134.37 17.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.951 0.405 . . . . 0.0 111.329 -179.75 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.615 ' HG2' HG23 ' A' 1618 ' ' ILE . 79.4 ttt180 -118.52 119.63 35.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.522 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' 1608 ' ' GLN . 1.9 m-30 -87.5 99.0 11.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.615 HG23 ' HG2' ' A' 1616 ' ' ARG . 2.6 pp -120.05 151.72 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 179.531 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' 1582 ' ' PHE . 25.9 m-85 -99.5 118.73 61.69 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.185 -179.534 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -84.67 -178.03 3.13 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.738 2.292 . . . . 0.0 112.436 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' 1584 ' ' LYS . 62.8 mt -135.78 95.13 3.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.77 179.56 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -116.76 179.53 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.797 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.75 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 47.3 t -74.5 -0.32 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' 1625 ' ' THR . 0.4 OUTLIER -92.59 -34.09 14.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.521 179.79 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.508 ' N ' ' HG ' ' A' 1624 ' ' LEU . 19.1 m -56.15 124.9 19.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.198 -179.647 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.455 ' HB3' ' O ' ' A' 1602 ' ' MET . 45.1 t-105 -91.06 107.58 19.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' 1600 ' ' LEU . 5.3 mp -115.07 127.12 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.691 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.495 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 42.3 tt0 -132.09 114.53 14.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.448 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 15.5 t80 -57.92 120.86 9.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.4 ' HA ' ' HD2' ' A' 1631 ' ' PRO . 4.4 t-105 -98.89 102.39 15.04 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.225 179.694 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.427 ' HG2' HD11 ' A' 1643 ' ' LEU . 9.9 Cg_endo -51.95 98.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.714 2.276 . . . . 0.0 112.378 -179.634 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -61.43 -26.4 67.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.29 132.74 34.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 75.3 p -135.13 0.82 2.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 9.5 t -89.63 -2.08 58.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 84.1 m -69.44 -15.95 63.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 92.4 p 50.14 24.01 1.31 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.221 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.1 t -137.97 -35.18 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 74.7 m -102.95 4.85 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.839 ' HA ' HD23 ' A' 1643 ' ' LEU . 56.2 tt0 -70.11 -19.34 63.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -59.92 -20.68 58.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.312 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 58.1 t80 -80.05 -30.78 39.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.768 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.839 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -74.31 -14.91 60.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.48 -43.99 79.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -73.59 -21.43 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.723 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.598 HD12 HD13 ' A' 1643 ' ' LEU . 97.3 mt -79.85 -27.73 40.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.11 -28.29 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.723 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.42 2.16 42.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.433 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 89.2 t80 -113.5 -20.11 11.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -76.73 -64.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.49 -33.31 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.635 ' CG ' HD22 ' A' 1656 ' ' ASN . 20.7 t70 -51.8 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.284 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.698 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.2 tp -57.22 -29.49 32.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.312 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1654 ' ' PHE . . . . . 0.546 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 16.5 t80 -71.66 -29.79 65.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.332 -179.697 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.546 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 89.6 mt -103.94 -75.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.501 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.635 HD22 ' CG ' ' A' 1652 ' ' ASP . 4.2 p-10 -76.68 -56.8 4.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.656 -179.351 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.698 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 65.54 -139.4 39.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.406 -179.816 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.259 -0.876 . . . . 0.0 110.851 179.95 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.0 t -138.57 109.32 6.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 41.4 t-80 62.33 7.72 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.017 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 95.4 mmm 56.3 92.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -170.29 130.19 0.91 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -111.07 119.28 38.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' A' 1515 ' ' GLY . 94.6 m -70.25 -140.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.312 179.137 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' 1514 ' ' CYS . . . -40.12 -29.37 0.2 Allowed Glycine 0 N--CA 1.455 -0.076 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.828 179.315 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 68.35 114.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.882 0.373 . . . . 0.0 110.942 179.487 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.497 ' HG2' ' HA ' ' A' 1591 ' ' ALA . 92.5 mmm -83.5 130.41 35.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -75.34 159.92 30.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.24 147.58 47.51 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.08 143.52 39.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' 1523 ' ' LEU . 89.9 mt 58.76 18.76 6.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.192 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.404 ' OD1' HG13 ' A' 1525 ' ' ILE . 14.6 t70 -63.05 100.48 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.747 179.802 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' 1521 ' ' LEU . 64.7 mt -95.53 11.78 31.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.055 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 80.8 p -78.89 -36.47 42.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.404 HG13 ' OD1' ' A' 1522 ' ' ASP . 75.9 mt -74.86 136.36 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.8 m -78.8 177.14 8.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1527 ' ' ALA . . . . . 0.401 ' HB2' ' OD1' ' A' 1645 ' ' ASN . . . -88.41 -11.83 44.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.571 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 43.8 mt-10 -103.56 -23.0 13.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 63.5 m -59.64 -41.83 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.034 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.509 ' NH1' ' HG2' ' A' 1628 ' ' GLU . 13.0 ptp180 -92.59 -14.16 28.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.795 179.851 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.591 ' HE2' HD13 ' A' 1653 ' ' ILE . 26.7 tptp -75.52 -39.31 58.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.053 -179.902 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.8 mt-30 -62.05 -12.6 19.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.969 0.414 . . . . 0.0 110.384 179.57 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.69 HG23 ' HE2' ' A' 1536 ' ' LYS . 61.7 m -92.57 -29.48 16.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.906 179.743 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.17 70.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.288 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.3 t -96.76 -3.22 42.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.707 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 39.3 ttpt -58.42 135.23 85.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.47 -42.47 34.89 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.83 2.353 . . . . 0.0 112.784 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.707 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 0.4 OUTLIER -58.33 -55.57 33.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.202 0.525 . . . . 0.0 110.491 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.681 HG13 HG22 ' A' 1533 ' ' THR . 17.3 mm -61.14 107.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.436 -179.693 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -71.85 -63.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.732 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.568 ' HE1' HG22 ' A' 1601 ' ' ILE . 5.1 p90 -109.29 159.08 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.652 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.49 ' HB3' ' CB ' ' A' 1568 ' ' LYS . . . -147.66 96.72 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.039 179.512 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.763 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.6 OUTLIER -150.88 173.21 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.97 0.414 . . . . 0.0 111.681 -179.107 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.55 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 21.3 pttp -110.62 147.42 34.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.069 179.171 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.833 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.3 m -138.52 -175.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.609 -178.772 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.466 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.9 t -146.37 120.68 9.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.717 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.407 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.4 mm -61.17 139.76 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 62.3 p -121.07 -38.83 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.39 -179.774 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 75.7 m -142.73 150.76 40.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.63 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.9 mt -133.62 136.58 54.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.044 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 69.2 m -140.52 113.79 8.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.609 ' HA ' HG13 ' A' 1557 ' ' VAL . 89.5 t -101.84 129.95 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1553 ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' 1556 ' ' PHE . 45.5 mt-10 -110.09 -164.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -56.89 -60.45 3.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.677 HG13 HG22 ' A' 1586 ' ' VAL . 33.9 t -129.07 -36.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.843 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' 1553 ' ' GLU . 94.8 m-85 -90.38 103.73 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.042 -179.774 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' 1552 ' ' VAL . 26.2 t -91.65 150.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.646 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.3 mttt -131.45 152.45 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.45 ' CE2' ' HE3' ' A' 1584 ' ' LYS . 98.5 m-85 -138.94 120.26 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 24.3 tptm -98.26 121.12 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.401 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.407 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -139.62 166.5 24.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.984 0.421 . . . . 0.0 111.623 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.6 m -115.29 128.39 56.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.999 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.833 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.2 tp -66.29 112.22 3.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.257 179.445 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.58 ' H ' ' HA ' ' A' 1545 ' ' VAL . 85.5 mt -66.16 -61.19 2.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.281 -179.358 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.564 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.2 t70 -153.94 149.23 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.812 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.763 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 56.4 mt -97.9 135.27 33.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.038 0.447 . . . . 0.0 112.052 -179.442 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' 1542 ' ' ALA . 52.9 m-85 -112.97 -15.56 12.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.321 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 7.3 tmtm? -157.51 106.18 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.285 179.13 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 47.2 m -40.02 143.49 0.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.382 -178.874 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.823 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.53 133.75 11.46 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.32 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.67 -24.13 65.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.774 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -94.59 67.39 3.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.434 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' 1573 ' ' VAL . 7.2 p 36.9 79.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.829 -179.667 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.823 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -107.0 129.73 54.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.844 179.559 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.489 ' O ' HD23 ' A' 1563 ' ' LEU . 45.9 mt-10 -140.09 145.2 37.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.52 127.93 34.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.65 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.617 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.0 t70 64.77 38.0 7.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 40.6 t -91.39 -171.53 2.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.54 179.554 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -108.38 133.67 52.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.583 179.681 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.76 HD12 ' HE1' ' A' 1582 ' ' PHE . 28.8 pt -140.33 149.97 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 111.646 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 34.8 m -142.54 114.54 8.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.753 179.749 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.76 ' HE1' HD12 ' A' 1580 ' ' ILE . 88.9 m-85 -100.31 133.08 45.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.747 HD13 HD12 ' A' 1618 ' ' ILE . 50.1 pt -123.35 146.74 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.537 ' HD3' HD23 ' A' 1621 ' ' LEU . 21.8 pttp -149.26 -168.16 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.002 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -111.02 178.6 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.937 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.677 HG22 HG13 ' A' 1555 ' ' VAL . 24.2 m -90.78 -0.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 67.3 p -72.7 -22.16 60.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.989 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.563 ' HB3' ' HB3' ' A' 1591 ' ' ALA . 75.8 m -58.13 122.11 12.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.74 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 94.3 m -104.16 -39.82 6.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.593 -179.61 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 12.7 m120 -96.13 14.5 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.42 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' 1588 ' ' CYS . . . -100.22 136.23 40.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 179.809 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -161.25 130.05 4.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 91.1 mt -135.87 135.83 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.437 HG12 ' OH ' ' A' 1599 ' ' TYR . 7.1 p -117.39 138.86 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.499 ' NZ ' ' HB2' ' A' 1595 ' ' LYS . 0.0 OUTLIER -72.97 129.74 38.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 -179.881 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 117.39 -51.05 0.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.804 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 168.47 14.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.058 0.456 . . . . 0.0 111.304 -179.733 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.423 ' HG2' HD11 ' A' 1564 ' ' LEU . 99.4 mt-30 -106.01 152.67 23.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.779 179.908 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.437 ' OH ' HG12 ' A' 1594 ' ' VAL . 97.0 m-85 -147.88 145.68 28.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.319 -179.832 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' 1627 ' ' ILE . 57.8 tp -93.95 132.64 38.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.138 179.398 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.568 HG22 ' HE1' ' A' 1541 ' ' TYR . 78.0 mt -127.69 123.28 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.0 0.429 . . . . 0.0 111.926 -179.294 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.417 ' SD ' ' HB1' ' A' 1542 ' ' ALA . 28.1 mtm -140.67 117.62 11.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.053 179.2 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.638 ' N ' HG23 ' A' 1539 ' ' ILE . . . 177.32 -166.39 36.88 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.427 -179.676 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' 1538 ' ' GLU . 73.8 mmtt -51.9 162.14 0.48 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.96 0.41 . . . . 0.0 111.408 -179.799 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.6 pt-20 -81.96 -178.69 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.727 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.498 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -89.88 -179.79 5.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.044 179.73 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' 1607 ' ' LEU . 1.4 pt? -127.97 117.4 21.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -83.33 105.2 14.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.705 HG13 ' HB3' ' A' 1615 ' ' PHE . 24.8 pt -110.92 -4.59 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.794 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.855 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 88.0 tttt -50.61 111.64 0.57 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.013 179.888 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 78.3 t80 -136.8 -24.35 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 45.3 t30 -129.43 -73.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -167.33 -37.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 46.8 t -78.07 -2.01 35.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.705 ' HB3' HG13 ' A' 1609 ' ' ILE . 76.9 m-85 -112.45 161.64 16.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.855 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 16.3 ptm180 179.56 -174.39 0.23 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.159 -179.677 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -65.85 -69.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.348 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.747 HD12 HD13 ' A' 1583 ' ' ILE . 16.4 pt 37.92 97.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.114 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.498 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 30.9 m-85 -55.97 140.58 69.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.011 -179.679 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.87 175.57 11.14 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.611 2.207 . . . . 0.0 112.197 179.794 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.537 HD23 ' HD3' ' A' 1584 ' ' LYS . 41.6 tp -154.75 92.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.859 ' HB2' HD12 ' A' 1624 ' ' LEU . 9.6 m-20 -116.8 -160.32 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.777 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 77.6 p -83.68 14.33 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.509 -179.572 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -111.5 -13.47 13.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.726 0.298 . . . . 0.0 110.918 179.798 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.616 ' N ' HD13 ' A' 1624 ' ' LEU . 57.4 m -76.53 118.91 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' A' 1601 ' ' ILE . 69.4 t-105 -81.85 110.89 17.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.509 ' HA ' ' O ' ' A' 1600 ' ' LEU . 68.5 mt -123.27 119.45 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.509 ' HG2' ' NH1' ' A' 1530 ' ' ARG . 10.2 tp10 -123.71 139.52 53.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.98 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.465 ' O ' ' HD3' ' A' 1631 ' ' PRO . 10.6 t80 -65.3 123.38 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -106.67 95.52 12.3 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.24 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 78.3 Cg_exo -50.35 97.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.623 2.216 . . . . 0.0 112.427 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -62.17 -28.92 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1633 ' ' ASP . . . . . 0.592 ' HB3' ' HB3' ' A' 1636 ' ' CYS . 10.0 m-20 -87.63 153.6 21.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.3 p -132.7 -49.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 7.8 t -92.67 -11.24 34.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' A' 1633 ' ' ASP . 52.7 t -72.02 113.51 9.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 96.6 p 49.98 24.35 1.33 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.285 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.6 t 58.8 97.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 75.1 m -142.18 9.97 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.817 ' HA ' HD23 ' A' 1643 ' ' LEU . 13.5 pt20 -74.74 -1.55 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -66.09 -21.98 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.511 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 30.8 t80 -91.4 -37.06 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.789 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.817 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.9 mm? -64.55 -25.88 68.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -64.18 -31.28 72.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1645 ' ' ASN . . . . . 0.401 ' OD1' ' HB2' ' A' 1527 ' ' ALA . 47.9 t-20 -79.16 -38.78 35.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 88.7 mt -70.43 -22.1 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.57 -47.28 84.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.771 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.4 -33.68 76.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.657 179.767 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.463 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 87.5 t80 -65.38 -36.71 84.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -71.86 -28.44 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.188 -179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -95.37 -4.97 44.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 -179.483 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' 1656 ' ' ASN . 18.8 t70 -96.86 -14.71 21.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.591 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.4 tp -102.3 -30.91 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.734 179.668 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.9 t80 -82.52 -44.45 15.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.857 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.2 tt -90.22 -70.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 -179.74 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' 1652 ' ' ASP . 12.0 m120 -61.26 -40.97 96.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.258 -179.815 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 61.55 -140.01 47.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.387 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.88 179.836 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 46.6 t -142.07 -38.9 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1510 ' ' HIS . . . . . 0.424 ' O ' ' HA ' ' A' 1588 ' ' CYS . 64.3 m80 -78.74 -38.04 39.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.796 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1511 ' ' MET . . . . . 0.505 ' O ' ' HB3' ' A' 1512 ' ' ALA . 3.5 ppp? -103.36 -162.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1512 ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' 1511 ' ' MET . . . 77.66 -65.05 0.28 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.994 179.848 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.488 ' HB3' ' HB2' ' A' 1516 ' ' GLN . 8.6 m-20 -134.5 -68.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.811 179.509 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' 1588 ' ' CYS . 42.5 t 52.59 30.6 8.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.494 0.664 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.451 ' HA2' ' C ' ' A' 1622 ' ' ASP . . . 122.85 44.3 0.34 Allowed Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.631 -179.141 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.488 ' HB2' ' HB3' ' A' 1513 ' ' ASP . 28.2 tt0 -47.4 132.44 13.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.413 -0.393 . . . . 0.0 111.295 -179.605 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.404 ' HB3' ' HE2' ' A' 1517 ' ' MET . 83.0 mtp -98.06 179.39 4.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.737 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -90.49 158.03 17.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.78 171.83 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.184 -179.8 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -81.26 -152.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.801 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' 1642 ' ' PHE . 86.1 mt -54.89 103.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -147.99 127.94 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' 1641 ' ' ALA . 88.0 mt -85.64 6.78 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 82.4 p -65.06 -30.03 70.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.75 133.36 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1526 ' ' SER . . . . . 0.442 ' HB2' ' OG1' ' A' 1529 ' ' THR . 54.6 m -88.21 -175.55 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -79.43 -62.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.673 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.4 mt-10 -58.26 -27.38 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 -179.895 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1529 ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' 1526 ' ' SER . 89.0 m -58.93 -42.72 90.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -106.78 10.19 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.673 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 25.2 tptp -97.53 -36.04 10.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.763 179.871 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' 1528 ' ' GLU . 96.5 mt-30 -63.31 -10.6 16.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 179.531 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.806 ' HA ' ' HD3' ' A' 1536 ' ' LYS . 58.5 m -82.28 -28.19 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.798 179.61 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.32 -13.99 44.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.049 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 30.5 t -118.73 0.92 11.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.698 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.806 ' HD3' ' HA ' ' A' 1533 ' ' THR . 11.3 mtpp -59.41 156.23 32.05 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.077 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.34 -45.33 18.98 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.724 2.282 . . . . 0.0 112.72 -179.731 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.644 ' HG3' HD12 ' A' 1539 ' ' ILE . 6.2 pt-20 -73.8 3.58 6.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.289 -179.798 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.751 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -116.23 114.09 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.876 0.37 . . . . 0.0 110.751 179.299 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -95.46 -42.14 8.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.245 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.569 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.0 OUTLIER -125.13 164.21 20.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.284 0.564 . . . . 0.0 111.945 -179.424 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -155.06 97.83 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.755 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.604 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 5.5 p90 -139.85 176.54 8.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 0.0 111.83 -178.859 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 61.6 tttm -119.64 134.05 55.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.433 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.828 HG12 ' HA ' ' A' 1563 ' ' LEU . 6.1 m -133.36 177.88 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 111.521 -179.516 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.475 ' HB2' HD11 ' A' 1564 ' ' LEU . 9.5 t -140.16 129.79 24.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.633 179.629 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' 1595 ' ' LYS . 36.6 mm -65.11 140.19 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.778 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 53.2 p -131.62 -22.72 2.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.538 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.637 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 70.0 m -155.79 145.95 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.01 0.433 . . . . 0.0 111.235 -179.518 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.5 mt -130.65 121.27 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.6 m -120.31 139.01 53.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 6.9 p -113.52 136.69 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.914 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -112.59 -165.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.704 179.888 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.7 m120 -57.01 -42.04 79.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' 1556 ' ' PHE . 5.2 m -144.27 -50.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.448 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.567 ' HE1' ' HE2' ' A' 1585 ' ' LYS . 83.9 m-85 -78.82 105.28 10.03 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 111.187 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' 1584 ' ' LYS . 7.7 p -81.64 136.28 23.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.689 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.62 ' HE2' HD12 ' A' 1583 ' ' ILE . 35.1 mmtp -108.77 154.1 22.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.092 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.855 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 91.9 m-85 -136.05 102.02 4.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.717 179.712 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' A' 1549 ' ' SER . 4.5 tppp? -77.47 123.64 26.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -143.39 162.06 36.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.42 . . . . 0.0 111.562 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.5 m -107.16 138.71 42.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.12 179.744 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.828 ' HA ' HG12 ' A' 1545 ' ' VAL . 19.7 tp -79.82 109.9 14.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.603 179.644 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.565 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.6 mp -63.62 -47.97 79.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.158 -179.675 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' 1543 ' ' TYR . 19.3 t70 -169.45 161.06 9.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.604 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 55.7 mt -107.81 124.59 64.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.831 -179.801 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.495 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 96.6 m-85 -99.06 -15.96 18.84 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.515 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.61 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 24.0 tptm -154.63 110.66 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.818 179.324 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 89.0 m -43.67 146.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.889 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.789 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -105.03 135.25 12.45 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.447 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.556 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 14.2 mm-40 -59.53 -27.15 65.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.745 179.825 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -95.03 67.97 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.557 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' 1573 ' ' VAL . 5.7 p 36.88 85.0 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.076 -179.79 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.789 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.46 133.3 51.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.647 179.393 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' 1578 ' ' SER . 10.1 tp10 -145.18 135.2 23.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.644 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 96.3 mttt -50.4 136.29 20.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.591 ' HA ' ' O ' ' A' 1563 ' ' LEU . 16.1 t70 64.91 40.22 5.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.957 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.551 ' H ' ' HB3' ' A' 1563 ' ' LEU . 30.1 t -87.2 -167.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.466 179.524 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -122.52 113.07 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 179.751 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.629 HD13 HG11 ' A' 1545 ' ' VAL . 28.7 pt -110.49 145.84 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.667 -179.552 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 17.8 m -129.97 98.1 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.45 179.374 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.882 ' HB3' HD21 ' A' 1621 ' ' LEU . 25.0 m-85 -65.19 153.69 40.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 -179.67 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.68 HG21 HD12 ' A' 1618 ' ' ILE . 6.1 tt -144.08 106.84 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.812 179.766 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.575 ' HG2' ' N ' ' A' 1585 ' ' LYS . 33.7 ttpt -125.53 161.76 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.828 -179.478 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.575 ' N ' ' HG2' ' A' 1584 ' ' LYS . 0.4 OUTLIER -91.19 136.98 32.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 179.478 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 31.4 m -77.8 9.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 -179.791 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 8.4 t -117.01 9.16 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.29 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' 1514 ' ' CYS . 62.6 m -66.29 -38.76 88.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.995 0.426 . . . . 0.0 111.181 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 6.8 m 56.81 51.97 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.328 179.802 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.458 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 25.3 t-20 -164.83 -71.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.094 179.6 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -61.42 136.55 58.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.007 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -157.74 103.82 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' 1593 ' ' LEU . 3.8 mp -100.09 170.65 8.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.671 179.707 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 7.6 p -136.55 141.18 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' A' 1547 ' ' ILE . 26.6 ttpp -70.44 145.05 51.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 -179.807 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1596 ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' 1632 ' ' ARG . . . 100.02 -31.91 7.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.677 179.871 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.46 168.91 16.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.906 0.384 . . . . 0.0 111.332 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -114.08 144.64 42.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.589 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.407 ' CD1' ' HA ' ' A' 1629 ' ' TYR . 94.3 m-85 -138.67 158.98 43.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.027 0.442 . . . . 0.0 111.498 -179.583 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.451 ' C ' HD12 ' A' 1601 ' ' ILE . 59.2 tp -105.89 134.88 48.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.31 179.513 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' 1601 ' ' ILE . 3.3 mp -118.33 131.51 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 111.771 -179.261 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.76 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 75.3 mtp -146.03 107.81 4.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.209 179.5 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.751 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -177.67 -175.0 44.52 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 119.907 -1.139 . . . . 0.0 113.518 -179.575 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' 1605 ' ' GLU . 4.7 tppp? -54.4 161.32 1.43 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.789 0.328 . . . . 0.0 111.26 -179.679 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.556 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.1 pt-20 -58.45 176.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.363 -179.796 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.468 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -76.97 177.01 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.344 -179.785 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.61 HD23 ' HD3' ' A' 1620 ' ' PRO . 4.3 mm? -88.71 -158.55 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.832 179.822 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.657 ' HA ' ' HD1' ' A' 1617 ' ' TYR . 61.7 tt0 -161.16 86.16 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.808 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.52 HD12 ' HE ' ' A' 1616 ' ' ARG . 1.5 mt -61.57 -55.45 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.325 -179.149 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1610 ' ' LYS . . . . . 1.012 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 22.2 pttp 38.56 45.99 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.255 179.41 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 72.2 t80 -107.27 159.77 16.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.051 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 50.2 t-20 62.88 -87.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.028 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -169.8 11.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 55.3 m -89.64 -47.16 8.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1615 ' ' PHE . . . . . 1.012 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 34.9 m-85 59.5 109.53 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.843 -179.752 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.52 ' HE ' HD12 ' A' 1609 ' ' ILE . 38.8 ptt180 -161.95 171.77 17.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.668 -179.598 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.657 ' HD1' ' HA ' ' A' 1608 ' ' GLN . 7.5 m-85 -118.54 158.33 25.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.732 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.68 HD12 HG21 ' A' 1583 ' ' ILE . 36.1 pt -142.0 174.07 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.423 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' 1582 ' ' PHE . 45.1 m-85 -129.12 113.6 18.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.121 -179.535 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1620 ' ' PRO . . . . . 0.61 ' HD3' HD23 ' A' 1607 ' ' LEU . 84.4 Cg_endo -80.45 168.24 18.38 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.789 2.326 . . . . 0.0 112.375 -179.828 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' 1582 ' ' PHE . 2.8 mm? -120.03 97.21 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.451 ' C ' ' HA2' ' A' 1515 ' ' GLY . 10.6 m-20 -125.26 176.44 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 43.2 t -64.69 -25.87 68.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' 1625 ' ' THR . 4.5 pp -72.72 -32.71 65.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.633 179.781 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.539 ' N ' HD12 ' A' 1624 ' ' LEU . 54.5 m -78.62 104.04 8.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.76 ' HB3' ' HB2' ' A' 1602 ' ' MET . 45.0 t-105 -61.68 119.84 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.862 179.902 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.527 HD11 HD12 ' A' 1621 ' ' LEU . 60.7 mt -127.65 108.92 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.786 179.849 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -114.89 147.68 39.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.407 ' HA ' ' CD1' ' A' 1599 ' ' TYR . 12.3 t80 -90.35 110.09 21.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.728 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.0 t90 -98.13 107.12 39.36 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.259 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.46 ' HB2' HD21 ' A' 1643 ' ' LEU . 71.6 Cg_exo -48.49 106.48 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.593 2.195 . . . . 0.0 112.499 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.425 ' HD2' ' O ' ' A' 1596 ' ' GLY . 78.5 ttt180 -52.56 -33.86 47.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.023 179.831 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1633 ' ' ASP . . . . . 0.469 ' HB2' ' OG ' ' A' 1638 ' ' SER . 10.2 m-20 -98.25 168.49 10.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.843 HG22 HD13 ' A' 1643 ' ' LEU . 64.1 p -132.01 -16.04 2.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 73.1 p -137.3 7.51 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.336 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.6 t -110.13 84.78 1.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.103 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 93.0 p 47.49 26.91 0.86 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.427 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1638 ' ' SER . . . . . 0.469 ' OG ' ' HB2' ' A' 1633 ' ' ASP . 55.6 m -114.23 -31.7 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.947 -179.835 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 42.1 t 64.36 156.63 0.08 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.51 ' HG2' HD12 ' A' 1643 ' ' LEU . 49.8 mt-30 -111.9 18.86 18.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.893 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1641 ' ' ALA . . . . . 0.418 ' O ' HD21 ' A' 1523 ' ' LEU . . . -61.18 -22.79 65.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.61 ' HB3' HD22 ' A' 1521 ' ' LEU . 77.4 t80 -117.59 -14.17 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.639 179.888 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.843 HD13 HG22 ' A' 1634 ' ' THR . 62.8 mt -81.72 5.23 19.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -106.64 -56.67 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -64.29 -22.02 66.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.404 HD22 ' CE2' ' A' 1642 ' ' PHE . 57.5 tp -85.52 -23.58 27.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.728 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.06 -38.11 78.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.594 179.881 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.28 -32.9 73.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.64 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.662 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 75.9 t80 -61.89 -35.09 77.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.31 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.203 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -78.54 -5.4 52.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.162 -179.441 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.417 ' OD1' ' HG2' ' A' 1531 ' ' LYS . 17.2 t70 -96.69 -9.85 28.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.721 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.877 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 8.3 tp -118.18 -21.14 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.128 0.489 . . . . 0.0 110.464 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -87.38 -30.21 20.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.005 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.421 ' C ' HD13 ' A' 1655 ' ' LEU . 2.6 tm? -99.24 -72.95 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.078 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -82.97 -39.41 21.4 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.705 -179.198 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.877 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 62.3 -132.89 45.34 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.409 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.901 179.893 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.2 p -130.34 -4.27 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -146.09 117.52 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.4 ptt? -72.98 -179.95 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -140.29 171.95 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.419 ' HA ' HD22 ' A' 1590 ' ' ASN . 5.3 p-10 -71.39 93.4 1.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.705 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 18.2 t -86.24 126.88 34.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.65 179.717 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 86.7 -50.63 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.098 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 55.19 100.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.349 . . . . 0.0 111.37 179.849 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.473 ' HE3' ' N ' ' A' 1592 ' ' GLU . 26.4 mmt -90.6 150.39 21.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -93.0 165.3 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.648 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 46.2 mt-10 -64.76 153.82 38.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.9 133.46 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' 1523 ' ' LEU . 86.6 mt 57.82 22.46 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.648 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 21.9 t70 -60.39 103.81 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.762 179.858 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' 1521 ' ' LEU . 74.7 mt -102.74 97.47 7.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.5 t -174.54 -19.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.999 179.892 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 63.5 mt -76.89 137.76 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 49.0 m -76.09 177.92 6.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -89.52 -3.78 58.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' 1532 ' ' GLN . 15.4 mm-40 -104.07 -23.43 13.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.039 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 61.9 m -67.23 -37.04 82.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -98.51 8.47 44.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.573 ' HE2' HD13 ' A' 1653 ' ' ILE . 26.3 tptp -106.35 -42.1 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.998 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.2 mt-30 -61.6 -18.8 60.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.969 0.414 . . . . 0.0 110.508 179.676 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.732 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 41.6 m -79.2 -25.08 42.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.809 179.754 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -65.82 -54.35 28.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 179.853 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1535 ' ' CYS . . . . . 0.481 ' HA ' ' HE3' ' A' 1568 ' ' LYS . 34.2 t -84.67 9.58 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.688 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.732 ' HE3' ' HA ' ' A' 1533 ' ' THR . 3.5 tppp? -57.44 135.34 81.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.83 -22.35 23.39 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.511 2.141 . . . . 0.0 112.112 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.779 ' HG3' ' HE2' ' A' 1604 ' ' LYS . 33.7 tt0 -86.86 -58.54 2.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.818 179.794 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.889 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.8 mp -59.43 121.61 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.093 -179.79 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.568 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -83.59 -60.71 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.474 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.513 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.6 p90 -107.13 155.63 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.09 0.472 . . . . 0.0 111.671 -179.412 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.08 100.52 3.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.382 179.8 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.788 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.8 p90 -155.05 170.38 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.028 0.442 . . . . 0.0 111.683 -179.444 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 65.8 pttt -106.92 141.35 38.27 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.164 179.407 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' 1563 ' ' LEU . 19.5 m -136.91 -173.82 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.638 -179.363 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.593 ' HB2' ' HG3' ' A' 1598 ' ' GLN . 23.3 t -152.2 128.27 10.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.77 179.763 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.449 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 43.1 mm -61.95 137.54 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.72 179.906 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1548 ' ' THR . . . . . 0.467 ' O ' ' HE2' ' A' 1595 ' ' LYS . 70.4 p -133.49 -13.03 2.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.68 -179.591 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.685 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 41.3 t -154.64 154.44 32.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 111.497 -179.911 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.459 HG12 ' HD1' ' A' 1559 ' ' TYR . 78.4 mt -141.16 140.06 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 83.3 m -147.6 116.58 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.7 p -96.15 140.84 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -109.68 -168.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.746 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1554 ' ' ASN . . . . . 0.498 ' ND2' HG23 ' A' 1555 ' ' VAL . 16.7 p-10 -59.49 -59.36 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.604 HG12 ' HB ' ' A' 1586 ' ' VAL . 25.3 t -113.4 -49.95 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.078 -179.672 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -84.14 176.6 8.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.043 -179.893 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.85 ' HB ' ' HB3' ' A' 1584 ' ' LYS . 13.1 t -135.34 161.53 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.552 179.892 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.916 ' HG2' HG22 ' A' 1583 ' ' ILE . 96.7 mttt -142.61 143.54 32.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.459 ' HD1' HG12 ' A' 1550 ' ' ILE . 94.1 m-85 -133.19 131.71 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.685 ' HB3' ' HB3' ' A' 1549 ' ' SER . 4.9 tmtp? -109.58 100.97 9.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.353 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.412 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -113.13 168.05 10.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.527 -179.541 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.8 m -113.57 138.2 50.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.91 179.527 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.894 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.4 tt -73.49 137.79 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.85 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.607 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.1 mp -94.72 -47.72 6.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.8 t70 -165.54 137.52 4.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.788 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 69.0 mt -97.2 125.37 50.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.972 0.415 . . . . 0.0 111.866 -179.595 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.491 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 83.3 m-85 -98.98 -12.81 20.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.404 178.629 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.572 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 64.8 tttm -160.39 112.48 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.95 179.393 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 14.3 t -46.51 156.68 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 111.774 -179.371 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.577 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.76 140.91 15.08 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.161 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.568 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 38.5 mt-10 -51.88 -30.51 24.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 0.0 110.221 179.669 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -92.9 47.73 1.3 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.77 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' 1573 ' ' VAL . 7.6 p 41.22 84.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.796 -179.349 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.577 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -84.73 135.12 34.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.629 179.671 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' 1578 ' ' SER . 41.1 tt0 -114.97 139.41 49.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.835 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.495 ' HB3' ' NZ ' ' A' 1576 ' ' LYS . 5.9 ttpm? -61.25 125.39 23.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.31 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.718 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.3 t70 65.83 28.63 10.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.075 0.464 . . . . 0.0 110.807 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.707 ' HB2' ' HB3' ' A' 1575 ' ' GLU . 30.5 t -71.36 -178.46 2.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.621 179.385 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -103.86 104.66 14.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.655 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.706 HD13 HG11 ' A' 1545 ' ' VAL . 32.2 pt -94.87 146.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.341 -179.673 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1581 ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' 1559 ' ' TYR . 39.8 m -137.1 105.48 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.808 179.662 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.665 ' HE1' HD12 ' A' 1580 ' ' ILE . 62.2 m-85 -101.64 121.91 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 -179.783 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.916 HG22 ' HG2' ' A' 1558 ' ' LYS . 43.4 pt -97.57 128.59 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 179.799 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.85 ' HB3' ' HB ' ' A' 1557 ' ' VAL . 40.8 ttmt -92.46 152.17 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.921 -179.797 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.481 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 97.4 mttt -92.85 178.98 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.635 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.604 ' HB ' HG12 ' A' 1555 ' ' VAL . 9.0 p -89.04 4.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.46 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.8 p -109.75 -36.32 5.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.409 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.705 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.1 m -58.97 101.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.029 -179.815 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 6.9 t -105.42 -29.63 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.07 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.419 HD22 ' HA ' ' A' 1513 ' ' ASP . 3.3 p30 -83.63 -24.02 31.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -83.56 103.87 13.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1592 ' ' GLU . . . . . 0.473 ' N ' ' HE3' ' A' 1517 ' ' MET . 21.5 mm-40 -121.61 151.08 40.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.967 -179.859 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' 1559 ' ' TYR . 95.9 mt -130.06 114.73 16.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 179.81 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 59.7 t -96.03 139.18 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 -179.896 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.467 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.6 tttm -80.15 139.84 36.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.817 179.887 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 111.94 -68.72 0.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.53 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.464 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 14.7 ptp180 -66.42 178.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.726 HE22 ' HA ' ' A' 1632 ' ' ARG . 1.0 OUTLIER -110.07 165.52 11.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 111.3 -179.615 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.464 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 71.9 m-85 -149.63 134.04 17.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.685 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 60.4 tp -79.29 132.17 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.276 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.513 HG22 ' HE1' ' A' 1541 ' ' TYR . 44.5 mm -123.33 119.01 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.986 0.422 . . . . 0.0 111.689 -179.467 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.485 ' HE2' ' HB ' ' A' 1533 ' ' THR . 77.8 mtp -141.23 113.22 7.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.255 179.495 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.889 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 177.57 -170.29 42.67 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.006 -1.092 . . . . 0.0 113.425 -179.636 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.779 ' HE2' ' HG3' ' A' 1538 ' ' GLU . 65.6 mmtt -50.54 157.96 0.68 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.861 0.362 . . . . 0.0 111.258 -179.915 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -71.9 -179.88 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.782 179.899 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -90.44 155.79 18.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.84 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' 1617 ' ' TYR . 8.6 mp -60.37 174.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.837 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.728 ' HG3' ' HE1' ' A' 1617 ' ' TYR . 59.5 tt0 -141.87 20.45 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.701 -179.758 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.574 ' C ' ' HA ' ' A' 1615 ' ' PHE . 2.3 pp -134.98 -7.21 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 112.01 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.606 ' HB2' ' N ' ' A' 1616 ' ' ARG . 24.0 tptm 55.65 -84.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.024 0.44 . . . . 0.0 111.144 -179.833 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1611 ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' 1609 ' ' ILE . 82.0 t80 -147.47 -85.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -154.02 135.39 14.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 58.25 16.46 3.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.352 179.777 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 64.3 p -128.01 -64.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.574 ' HA ' ' C ' ' A' 1609 ' ' ILE . 78.5 m-85 63.35 120.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.222 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.606 ' N ' ' HB2' ' A' 1610 ' ' LYS . 3.7 tmt_? -172.15 153.03 2.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.66 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.728 ' HE1' ' HG3' ' A' 1608 ' ' GLN . 11.3 m-30 -71.29 116.6 11.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.307 -179.722 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 47.2 mm -125.27 131.12 72.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -92.65 108.22 29.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.0 171.92 16.96 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.555 2.17 . . . . 0.0 112.458 -179.891 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' 1582 ' ' PHE . 99.0 mt -143.92 110.14 5.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' 1624 ' ' LEU . 5.5 p-10 -141.43 -160.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.053 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.3 p -82.51 42.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.614 -179.504 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' 1625 ' ' THR . 0.0 OUTLIER -143.47 -17.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 179.636 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.491 ' N ' HD23 ' A' 1624 ' ' LEU . 40.0 m -73.05 118.86 16.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.267 -179.777 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.401 ' HB3' ' HB2' ' A' 1602 ' ' MET . 54.6 t-105 -84.55 100.6 11.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.627 179.84 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.0 mt -112.64 128.28 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.685 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 40.8 tt0 -128.17 155.96 43.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 22.6 t80 -90.75 114.69 27.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.821 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.687 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 5.2 t-105 -94.71 111.21 53.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.371 179.625 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.585 ' HB3' ' SG ' ' A' 1639 ' ' CYS . 79.4 Cg_exo -47.56 104.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.47 2.113 . . . . 0.0 112.548 -179.807 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.726 ' HA ' HE22 ' A' 1598 ' ' GLN . 79.7 ttt180 -59.35 -27.43 65.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.792 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.11 146.47 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.521 HG22 ' HG ' ' A' 1643 ' ' LEU . 71.1 p -134.75 -6.0 2.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 73.5 p -77.86 -7.75 57.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' 1639 ' ' CYS . 51.1 t -76.43 145.79 39.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 52.4 m -90.83 13.01 17.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.5 t -133.84 -25.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.585 ' SG ' ' HB3' ' A' 1631 ' ' PRO . 51.2 t -92.86 -22.27 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.548 ' HA ' HD23 ' A' 1643 ' ' LEU . 4.8 tp-100 -62.91 -27.71 69.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -54.45 -33.18 59.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.533 -179.495 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 36.6 t80 -68.52 -40.97 80.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 110.817 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.9 mm? -67.7 -17.95 64.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.03 -49.74 22.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.86 -14.17 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.651 179.848 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 59.5 tp -96.29 -22.29 17.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.67 -33.76 73.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.22 -40.0 88.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.691 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.524 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 84.1 t80 -64.55 -30.38 71.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -66.67 -58.51 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.349 -179.868 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -70.64 -8.69 53.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.272 -179.451 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -77.22 -71.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.722 HD12 ' HA2' ' A' 1657 ' ' GLY . 7.0 tp -57.7 -29.96 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.413 . . . . 0.0 110.998 179.869 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.06 -49.68 59.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.98 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.67 -71.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.648 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 12.3 m120 -56.82 -72.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.226 -179.871 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.722 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.3 -176.36 47.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 -179.865 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.893 -179.969 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.2 t -86.56 147.92 25.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -84.41 158.28 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 86.1 mtp 60.1 99.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -111.81 131.91 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.043 179.926 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -94.0 127.87 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.037 -179.902 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 12.0 p -88.89 21.44 3.08 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.468 0.651 . . . . 0.0 110.144 179.595 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.829 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 132.44 78.2 0.14 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.246 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -54.37 103.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.526 ' HE3' ' H ' ' A' 1592 ' ' GLU . 21.6 ptp -69.13 168.04 14.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.47 -178.32 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.98 -178.7 1.04 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.74 -88.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 67.1 mt -98.16 100.73 12.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -145.83 110.26 5.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 48.3 mt -78.6 6.11 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.639 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 74.4 p -67.16 -21.59 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 66.5 mt -98.46 135.8 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1526 ' ' SER . . . . . 0.414 ' HB3' ' OG1' ' A' 1529 ' ' THR . 47.4 t -91.4 165.1 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -68.16 -24.33 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.2 mt-10 -93.59 -26.77 16.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1529 ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' 1526 ' ' SER . 79.1 m -61.7 -41.88 98.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.45 ' NH1' ' HG2' ' A' 1628 ' ' GLU . 16.0 ptp180 -85.79 -11.06 54.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.553 ' HD3' ' O ' ' A' 1531 ' ' LYS . 1.3 tmtp? -83.81 -26.84 29.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.48 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.0 mm-40 -53.53 -22.61 8.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 179.628 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.921 ' HA ' ' HD3' ' A' 1536 ' ' LYS . 62.4 m -82.53 -34.93 27.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.741 179.61 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.461 ' HA ' HG21 ' A' 1539 ' ' ILE . . . -63.06 -10.56 14.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1535 ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 44.2 t -120.38 65.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.056 0.455 . . . . 0.0 110.739 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.921 ' HD3' ' HA ' ' A' 1533 ' ' THR . 14.9 mtpp -143.37 155.68 60.96 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.01 -34.53 80.36 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.627 ' HG3' HD12 ' A' 1539 ' ' ILE . 4.4 pt-20 -77.3 -6.07 51.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.88 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.1 mp -110.27 115.74 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.645 179.331 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -92.96 -54.95 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.696 -179.783 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.506 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 3.9 p90 -116.46 167.91 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.234 0.54 . . . . 0.0 112.171 -178.915 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.691 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -159.0 107.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.798 179.095 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.57 ' HA ' ' HD1' ' A' 1567 ' ' TYR . 1.2 p90 -157.83 178.32 10.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.133 0.492 . . . . 0.0 111.774 -178.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' 1564 ' ' LEU . 26.8 ttpp -109.61 132.06 54.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.315 179.732 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.855 HG12 ' HA ' ' A' 1563 ' ' LEU . 29.9 m -131.53 178.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.491 -179.674 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.505 ' HB3' HD21 ' A' 1564 ' ' LEU . 22.9 t -147.95 124.88 11.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.716 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.687 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.8 mm -61.53 145.81 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 -179.896 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 6.9 t -150.1 -10.37 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.256 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.716 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 54.4 m -145.61 137.07 25.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.036 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.508 HG12 ' HD1' ' A' 1559 ' ' TYR . 74.3 mt -135.57 128.87 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.1 m -114.78 110.38 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 90.2 t -110.43 122.52 65.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.666 179.604 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -108.81 -68.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 46.6 t30 -165.63 -58.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 27.7 t -109.96 -50.98 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -87.29 120.03 28.15 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.901 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 44.4 t -109.28 147.93 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.841 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.3 mttt -131.65 152.97 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.014 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.508 ' HD1' HG12 ' A' 1550 ' ' ILE . 97.2 m-85 -137.4 98.71 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.716 ' HB2' ' HB2' ' A' 1549 ' ' SER . 61.1 mttp -85.95 126.15 33.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.335 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.687 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -132.42 177.93 7.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 111.718 -179.442 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -117.64 145.71 44.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.733 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.855 ' HA ' HG12 ' A' 1545 ' ' VAL . 15.8 tp -77.71 119.61 21.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.971 0.415 . . . . 0.0 110.289 179.181 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' 1545 ' ' VAL . 0.7 OUTLIER -78.32 -38.39 42.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.773 -179.681 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.539 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.4 t70 -172.71 146.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.592 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.783 HG12 HD21 ' A' 1563 ' ' LEU . 52.8 mt -90.49 130.52 39.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.745 -179.767 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.57 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 64.6 m-85 -111.52 -19.8 12.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.128 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.691 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 63.4 tttm -160.3 107.05 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.568 179.116 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 41.7 m -40.81 141.12 0.62 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.055 -179.167 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.775 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -104.22 135.26 12.36 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.397 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.05 -19.25 51.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.47 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -85.03 54.1 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.434 179.336 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' 1573 ' ' VAL . 9.3 p 42.89 39.4 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.594 -179.804 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.775 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -63.37 136.69 57.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.77 179.664 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.59 ' C ' HD11 ' A' 1566 ' ' ILE . 12.8 pt-20 -145.99 154.38 41.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.767 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.592 ' N ' HD11 ' A' 1566 ' ' ILE . 55.8 mtpt -47.01 131.23 12.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.308 -179.508 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.668 ' HA ' ' O ' ' A' 1563 ' ' LEU . 5.5 p-10 42.5 63.36 1.44 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.484 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.631 ' H ' ' HB3' ' A' 1563 ' ' LEU . 51.9 p -98.98 -167.35 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.744 179.662 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -111.54 133.1 54.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.517 179.607 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.792 HD12 ' HE2' ' A' 1582 ' ' PHE . 16.5 pt -134.2 149.7 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.455 -179.464 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 27.6 m -136.62 102.08 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.838 179.703 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.792 ' HE2' HD12 ' A' 1580 ' ' ILE . 78.5 m-85 -93.7 114.99 27.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.167 -179.881 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.841 HG22 ' HG2' ' A' 1558 ' ' LYS . 42.7 pt -100.84 144.85 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.632 ' HE3' ' HB3' ' A' 1588 ' ' CYS . 0.1 OUTLIER -149.91 162.44 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 -179.798 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -86.38 156.1 20.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.7 p -61.71 -27.61 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.9 p -63.93 -23.75 67.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.632 ' HB3' ' HE3' ' A' 1584 ' ' LYS . 34.3 t -63.4 91.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 8.8 t -104.75 -0.76 27.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -97.03 -24.5 15.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.034 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.618 ' HB3' ' SG ' ' A' 1588 ' ' CYS . . . -118.93 106.15 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.227 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1592 ' ' GLU . . . . . 0.526 ' H ' ' HE3' ' A' 1517 ' ' MET . 41.2 tt0 -125.18 142.47 51.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.73 179.911 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.61 HD13 HD11 ' A' 1547 ' ' ILE . 80.4 mt -116.31 158.1 23.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.832 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.468 ' HB ' ' HB2' ' A' 1597 ' ' ARG . 47.0 t -119.88 139.56 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.035 -179.871 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 62.8 tttp -63.82 107.1 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.611 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 90.93 43.53 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.181 -179.726 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.512 ' HB3' ' CE2' ' A' 1599 ' ' TYR . 10.6 tpt180 -127.56 145.53 50.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.608 0.242 . . . . 0.0 110.741 -179.789 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -91.55 129.88 37.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' 1597 ' ' ARG . 73.4 m-85 -137.39 159.25 42.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.259 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.519 HD23 ' N ' ' A' 1601 ' ' ILE . 3.0 tt -102.61 129.59 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.884 179.396 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.519 ' N ' HD23 ' A' 1600 ' ' LEU . 93.8 mt -134.73 126.95 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.093 0.473 . . . . 0.0 112.087 -179.212 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.59 ' HG3' ' HB3' ' A' 1626 ' ' TRP . 0.2 OUTLIER -153.65 115.42 4.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.425 178.898 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.88 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 173.99 -157.25 25.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.333 -179.699 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 23.0 tptm -44.6 154.07 0.14 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.017 0.437 . . . . 0.0 111.956 -179.302 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.7 pt-20 -92.53 -167.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.403 ' HB2' ' HA ' ' A' 1619 ' ' TYR . . . -119.59 124.56 46.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.032 179.811 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.475 ' N ' HD22 ' A' 1607 ' ' LEU . 3.4 mm? -108.46 108.63 19.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.771 ' HG3' ' H ' ' A' 1618 ' ' ILE . 17.8 mm-40 -147.39 -85.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.099 0.476 . . . . 0.0 110.634 -179.723 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 45.0 mt 63.77 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.694 179.472 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.711 ' HA ' ' HB2' ' A' 1615 ' ' PHE . 62.8 tttp -51.75 126.05 16.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.928 179.803 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -150.22 95.72 2.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.769 -179.816 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 64.0 m-20 56.56 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.349 178.768 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -39.96 -83.98 0.01 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.08 -179.081 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 78.0 p -179.23 101.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 111.274 -179.621 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.711 ' HB2' ' HA ' ' A' 1610 ' ' LYS . 97.3 m-85 -145.97 -165.39 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.421 179.485 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.533 ' HB2' ' O ' ' A' 1615 ' ' PHE . 78.1 ttt180 170.26 -90.62 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.358 -179.303 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.606 ' HD1' ' HB2' ' A' 1608 ' ' GLN . 0.1 OUTLIER 173.55 98.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.091 179.395 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.771 ' H ' ' HG3' ' A' 1608 ' ' GLN . 38.8 pt -120.49 128.31 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.494 179.349 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' 1582 ' ' PHE . 6.1 m-85 -82.42 127.29 71.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.166 -179.188 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -77.36 170.61 19.13 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.586 2.191 . . . . 0.0 112.243 179.8 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' 1584 ' ' LYS . 29.5 tp -139.68 94.94 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -122.93 -172.9 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.829 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 47.3 t -83.27 7.24 16.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' 1625 ' ' THR . 4.6 pp -92.78 -30.81 15.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 179.828 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.606 ' N ' HD12 ' A' 1624 ' ' LEU . 52.9 m -79.65 134.06 36.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.343 -179.645 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.59 ' HB3' ' HG3' ' A' 1602 ' ' MET . 59.5 t-105 -77.69 127.62 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.519 HD11 HD11 ' A' 1621 ' ' LEU . 60.8 mt -132.71 114.55 22.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.831 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.45 ' HG2' ' NH1' ' A' 1530 ' ' ARG . 9.9 tp10 -130.48 118.13 20.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.502 ' HA ' ' HD1' ' A' 1599 ' ' TYR . 29.2 t80 -56.68 132.59 52.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 179.897 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -100.39 104.24 28.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.216 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.707 ' HB2' HD11 ' A' 1643 ' ' LEU . 74.6 Cg_exo -49.35 102.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.633 2.222 . . . . 0.0 112.581 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -77.59 -26.1 50.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -90.98 132.1 36.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 75.0 p -133.08 -20.78 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 78.1 p -95.56 11.48 32.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.919 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 49.6 t -59.08 -55.74 31.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 78.4 p -147.9 -63.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.9 p -167.18 7.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 81.5 m -70.94 95.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.692 ' HA ' HD23 ' A' 1643 ' ' LEU . 47.8 mt-30 -141.66 0.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.73 69.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.229 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' 1646 ' ' LEU . 56.2 t80 -70.95 -36.71 72.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -66.41 -42.01 88.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.83 92.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.007 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.1 -30.18 71.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' 1642 ' ' PHE . 92.0 mt -70.55 -29.71 66.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.696 179.768 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.53 -32.45 73.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.553 179.663 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.93 -31.69 71.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.595 179.666 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.494 ' O ' HG22 ' A' 1653 ' ' ILE . 77.0 t80 -74.25 -33.75 63.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.707 179.824 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.58 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.425 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -99.65 -4.67 30.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.508 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' 1656 ' ' ASN . 19.8 t70 -95.59 -13.98 23.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.494 HG22 ' O ' ' A' 1649 ' ' PHE . 9.5 tp -111.41 -25.65 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.817 179.865 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.3 t80 -85.91 -50.11 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' 1655 ' ' LEU . 4.9 tt -73.67 -48.31 33.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.527 -179.578 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.547 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.1 m-20 -78.37 -71.37 0.43 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.145 -179.626 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 66.58 86.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.398 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A 1658 ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 42.9 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 48.2 t -139.6 118.14 12.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.324 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 15.6 p80 -101.94 -5.59 24.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 -179.916 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 27.6 ttt -157.9 118.98 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -136.42 -2.63 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.46 ' HA ' ' CG ' ' A' 1590 ' ' ASN . 8.3 m-20 59.99 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.371 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.581 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 37.0 t 48.84 78.75 0.08 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.063 0.459 . . . . 0.0 110.236 -179.34 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 102.28 43.62 2.0 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.607 -179.089 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.422 ' HG2' ' HB3' ' A' 1513 ' ' ASP . 95.8 mt-30 -45.5 109.34 0.17 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.414 -0.393 . . . . 0.0 111.115 -179.64 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' 1590 ' ' ASN . 19.0 ptp -100.42 -176.8 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -103.78 173.58 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -83.74 42.63 0.86 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 58.54 -90.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.066 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 32.9 mt -105.38 96.66 6.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -142.97 122.26 13.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 179.673 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' 1525 ' ' ILE . 84.9 mt -77.61 -133.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.471 179.839 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 43.5 p 52.25 20.62 1.4 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.739 0.305 . . . . 0.0 111.482 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' 1523 ' ' LEU . 78.6 mt -131.28 107.21 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 179.85 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 79.9 p -73.11 174.44 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -79.33 -5.59 54.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -100.14 -2.42 34.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.1 m -85.9 -31.28 22.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' 1530 ' ' ARG . 46.1 mtm180 -99.3 -32.17 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1531 ' ' LYS . . . . . . . . . . . . . 60.7 tttm -57.13 -40.37 76.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.16 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' 1536 ' ' LYS . 29.4 mm-40 -58.76 -23.15 59.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.052 0.453 . . . . 0.0 110.055 179.387 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.547 ' HB ' ' HE2' ' A' 1602 ' ' MET . 56.4 m -87.62 -22.84 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.455 179.508 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.551 ' HA ' ' HB2' ' A' 1542 ' ' ALA . . . -76.54 0.8 18.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.052 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 10.7 t -150.04 9.52 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.605 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.797 ' HB3' HG12 ' A' 1539 ' ' ILE . 36.9 ttmt -66.66 138.99 95.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.693 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.31 -49.49 14.19 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.627 2.218 . . . . 0.0 112.719 -179.814 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.87 -29.69 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.114 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.931 HD12 ' HA2' ' A' 1603 ' ' GLY . 28.7 mm -82.26 139.03 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 111.081 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.401 ' HB3' ' N ' ' A' 1605 ' ' GLU . . . -107.84 -18.26 13.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.467 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.671 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.7 p90 -158.34 160.06 36.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.478 0.656 . . . . 0.0 112.457 -179.214 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.669 ' N ' ' HB3' ' A' 1568 ' ' LYS . . . -149.27 89.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.557 179.262 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.628 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.2 OUTLIER -131.19 169.57 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.215 0.531 . . . . 0.0 112.378 -178.303 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 86.7 tttt -104.12 109.8 21.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.155 179.512 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.811 HG21 HD12 ' A' 1601 ' ' ILE . 1.9 t -94.08 176.73 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.002 -179.243 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.719 ' H ' HG12 ' A' 1545 ' ' VAL . 88.1 p -155.74 103.98 2.3 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.551 179.572 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.796 HD13 ' HB2' ' A' 1561 ' ' ALA . 50.4 mm -50.48 137.45 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.817 0.341 . . . . 0.0 111.262 -179.719 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1548 ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' 1561 ' ' ALA . 4.5 t -141.61 -14.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.446 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.775 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 36.9 t -147.81 149.35 32.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 0.0 111.276 179.879 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -146.22 141.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.9 m -147.58 98.47 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.46 ' HA ' HG23 ' A' 1557 ' ' VAL . 7.0 p -96.97 140.8 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.3 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -113.15 -169.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -62.78 -23.46 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.843 HG13 ' H ' ' A' 1556 ' ' PHE . 1.3 p -138.64 -79.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.843 ' H ' HG13 ' A' 1555 ' ' VAL . 95.8 m-85 -64.17 142.99 58.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.908 179.742 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' 1552 ' ' VAL . 10.3 p -126.1 141.98 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.678 ' HG3' HG22 ' A' 1583 ' ' ILE . 11.1 mptt -114.54 150.37 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 -179.724 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.556 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 89.8 m-85 -140.07 101.43 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 179.714 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.775 ' HB2' ' HB3' ' A' 1549 ' ' SER . 95.8 mttt -90.76 139.62 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.507 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.796 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -143.93 175.12 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.035 0.445 . . . . 0.0 111.53 -179.625 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 15.8 m -118.6 134.67 54.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.798 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.691 HD13 HD11 ' A' 1566 ' ' ILE . 44.5 mt -76.0 96.11 3.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' 1546 ' ' SER . 70.6 mt -57.39 -31.27 65.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.894 0.378 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.626 ' O ' ' HB2' ' A' 1543 ' ' TYR . 22.0 t70 -170.33 168.2 8.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.428 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.691 HD11 HD13 ' A' 1563 ' ' LEU . 47.5 mt -139.67 120.22 14.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.63 179.795 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -96.92 -32.58 11.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.167 0.508 . . . . 0.0 109.927 179.057 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.669 ' HB3' ' N ' ' A' 1542 ' ' ALA . 56.8 tptt -124.5 106.99 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.757 179.031 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 57.9 m -47.19 139.56 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.903 -179.079 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.863 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -91.3 127.88 9.08 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.437 179.901 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.62 -25.59 64.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.638 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.493 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -91.6 42.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.594 179.439 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 72.3 t 59.3 93.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.4 -179.803 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.863 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -126.46 125.3 41.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.363 179.435 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -131.28 159.46 37.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.321 -179.409 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.29 121.02 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.561 179.772 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.551 ' HA ' ' O ' ' A' 1563 ' ' LEU . 21.1 t70 61.07 67.6 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.593 ' H ' ' HB2' ' A' 1563 ' ' LEU . 67.8 m -114.45 179.47 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.599 179.769 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -107.76 105.07 14.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 179.77 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' 1561 ' ' ALA . 2.5 pp -109.63 154.91 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.519 -179.815 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 30.5 m -130.67 120.09 23.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' 1619 ' ' TYR . 66.0 m-85 -113.8 109.63 18.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.718 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.678 HG22 ' HG3' ' A' 1558 ' ' LYS . 46.7 pt -102.19 164.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 -179.893 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.635 ' HB3' HD12 ' A' 1621 ' ' LEU . 52.6 pttt -166.12 -172.35 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.756 179.791 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 67.0 mttm -106.33 -175.86 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.1 p -91.48 -17.22 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.0 p -69.25 -24.97 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.253 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.581 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.6 m -59.81 105.1 0.34 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 88.8 m -94.03 -30.53 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.323 -179.648 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.46 ' CG ' ' HA ' ' A' 1513 ' ' ASP . 2.8 m-20 -86.36 11.14 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.267 -179.651 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -123.99 136.62 54.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 111.251 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -170.4 114.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.623 HD13 HD11 ' A' 1547 ' ' ILE . 70.9 mt -110.09 158.02 18.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 -179.851 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' 1597 ' ' ARG . 11.0 p -144.75 144.73 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 61.5 tttp -74.82 146.85 41.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 91.56 -10.43 74.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.556 179.757 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.408 ' HB2' HG13 ' A' 1594 ' ' VAL . 10.8 mpt_? -105.7 169.85 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 111.271 -179.857 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -107.89 149.08 28.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.434 ' CD2' HG12 ' A' 1547 ' ' ILE . 72.1 m-85 -143.62 148.7 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.087 0.47 . . . . 0.0 111.81 -179.436 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' 1543 ' ' TYR . 58.2 tp -113.32 118.07 33.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.96 179.063 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.811 HD12 HG21 ' A' 1545 ' ' VAL . 82.4 mt -115.34 126.77 73.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.157 0.503 . . . . 0.0 112.092 -179.051 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 74.1 mtp -140.86 109.34 5.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.993 179.489 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.931 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -176.65 -168.28 36.46 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 119.946 -1.121 . . . . 0.0 113.742 -179.383 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.414 ' HE3' ' HG2' ' A' 1605 ' ' GLU . 60.2 tptt -55.5 157.09 4.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.868 0.366 . . . . 0.0 111.355 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.6 pt-20 -66.54 -170.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.323 -179.8 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.493 ' H ' ' HB2' ' A' 1572 ' ' ALA . . . -88.41 175.24 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.271 -179.852 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 9.5 mp -110.29 113.62 26.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.606 179.571 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.55 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 40.4 mt-30 -70.6 135.58 48.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.005 -179.626 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.648 HG13 ' HB3' ' A' 1615 ' ' PHE . 4.9 pt -145.53 -15.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.34 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.894 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 62.8 tttp -48.58 115.29 1.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.038 179.923 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 61.9 t80 -128.98 -60.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -119.33 44.93 2.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 63.12 9.22 3.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.3 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 48.0 t -98.34 -12.18 21.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.615 179.868 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.648 ' HB3' HG13 ' A' 1609 ' ' ILE . 85.3 m-85 -130.18 -172.76 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.49 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.894 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 58.2 ttt180 173.5 171.51 0.16 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.182 -179.079 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.66 ' H ' ' HG2' ' A' 1616 ' ' ARG . 14.1 m-85 -62.1 108.63 1.1 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.621 179.441 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 48.3 pt -128.91 135.48 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 0.0 110.974 179.556 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.531 ' O ' ' HA ' ' A' 1582 ' ' PHE . 36.4 m-85 -88.5 131.16 42.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.297 -179.308 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.73 -169.99 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.687 2.258 . . . . 0.0 112.207 179.654 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' 1584 ' ' LYS . 81.6 mt -144.91 100.08 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.739 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.82 ' HB2' HD23 ' A' 1624 ' ' LEU . 10.1 m-20 -122.6 -172.02 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 20.1 m -79.76 -5.35 55.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.649 -179.421 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.82 HD23 ' HB2' ' A' 1622 ' ' ASP . 0.3 OUTLIER -88.55 -32.64 18.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.555 ' N ' ' HG ' ' A' 1624 ' ' LEU . 89.9 m -64.58 108.69 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.174 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.44 ' HB3' ' HB2' ' A' 1602 ' ' MET . 57.1 t-105 -62.56 112.17 2.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -114.26 111.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -128.93 112.86 14.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 78.0 t80 -59.62 133.3 55.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -101.53 108.21 54.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.389 179.772 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.56 ' HB2' HD11 ' A' 1643 ' ' LEU . 78.0 Cg_exo -50.41 120.18 6.0 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.666 2.244 . . . . 0.0 112.557 -179.723 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -78.66 -33.82 46.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -86.81 128.72 35.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.713 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.5 p -138.05 -32.61 0.73 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 75.1 p -88.25 12.14 14.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 53.5 t -60.63 -70.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 56.3 m -155.45 -67.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 80.2 p -149.41 17.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 82.6 m -75.01 1.79 12.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.866 ' HA ' HD23 ' A' 1643 ' ' LEU . 11.3 pt20 -84.0 14.62 3.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.077 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.76 94.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.899 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -80.41 -25.6 38.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.866 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -77.1 -5.89 50.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.56 -24.73 31.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -89.44 -15.62 32.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.69 -28.47 30.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.13 -36.4 79.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.36 -43.44 94.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.766 179.823 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.545 ' O ' HG22 ' A' 1653 ' ' ILE . 86.7 t80 -68.44 -30.57 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.968 179.89 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.37 51.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.306 -179.853 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -116.55 -4.27 11.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' 1656 ' ' ASN . 18.8 t70 -87.91 -16.18 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.035 -179.848 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.548 HD12 ' HA2' ' A' 1657 ' ' GLY . 8.6 tp -110.05 -29.2 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.777 179.794 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 44.3 t80 -78.05 -47.01 19.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -79.5 -52.75 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.787 -179.424 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.551 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.1 m-20 -78.92 -77.78 0.16 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.277 -179.46 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.548 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.3 150.62 2.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.354 -0.832 . . . . 0.0 111.034 -179.916 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 79.8 p -95.31 162.47 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.309 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.5 m80 -127.74 178.34 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1511 ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' 1511 ' ' MET . 0.0 OUTLIER -145.87 176.76 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.937 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -150.71 -178.13 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.497 ' HB3' ' HB3' ' A' 1516 ' ' GLN . 9.5 m-20 -65.78 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 41.5 t 58.45 101.19 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 63.18 43.67 98.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.275 -179.669 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.497 ' HB3' ' HB3' ' A' 1513 ' ' ASP . 16.9 pt20 -54.93 116.26 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.941 0.4 . . . . 0.0 110.974 -179.87 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 66.1 mtt -93.78 142.21 27.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -87.43 -178.57 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.66 172.44 2.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -93.5 -15.95 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 69.0 mt -148.37 102.06 3.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.556 ' OD1' HG13 ' A' 1525 ' ' ILE . 11.8 t70 -138.79 113.14 8.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.555 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 35.3 mt -103.02 17.46 24.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 76.4 p -97.36 -4.95 37.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.31 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.556 HG13 ' OD1' ' A' 1522 ' ' ASP . 89.8 mt -94.71 137.39 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.0 t -82.96 163.19 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -93.52 -4.24 51.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -106.79 -13.27 15.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 73.2 m -80.78 -50.79 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.75 HH22 HD23 ' A' 1646 ' ' LEU . 34.9 ptt180 -76.02 -22.61 55.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.905 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.501 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 84.5 tttt -60.18 -34.29 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -60.56 -23.97 65.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.272 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.822 ' HA ' ' HG2' ' A' 1536 ' ' LYS . 31.9 m -79.99 -21.03 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -80.7 4.32 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.47 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.5 t -144.67 18.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.218 -179.639 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.822 ' HG2' ' HA ' ' A' 1533 ' ' THR . 35.0 mmtp -61.78 156.97 52.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.782 179.747 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.08 -10.5 25.84 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.424 2.083 . . . . 0.0 111.951 179.511 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.855 ' HG3' HD12 ' A' 1539 ' ' ILE . 6.6 pt-20 -108.57 -51.8 2.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.101 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.855 HD12 ' HG3' ' A' 1538 ' ' GLU . 1.9 mp -52.02 119.07 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.99 0.424 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.778 ' HB1' ' H ' ' A' 1571 ' ' GLU . . . -90.9 -58.34 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' 1568 ' ' LYS . 5.5 p90 -101.09 144.09 30.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.519 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -153.51 104.55 2.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.779 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER -179.67 -122.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.411 178.387 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.442 ' N ' ' HD1' ' A' 1543 ' ' TYR . 4.4 ttmp? -131.99 140.7 49.04 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.395 0.616 . . . . 0.0 112.046 -177.686 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.798 HG12 ' HA ' ' A' 1563 ' ' LEU . 4.5 m -141.09 140.05 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 179.355 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.681 ' HB2' HD11 ' A' 1564 ' ' LEU . 31.0 t -112.57 143.84 43.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.96 0.409 . . . . 0.0 111.592 -179.014 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.719 HG13 HD12 ' A' 1593 ' ' LEU . 32.3 mm -82.06 120.68 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.549 179.572 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 76.6 p -97.24 -18.57 19.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.713 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 33.4 t -161.89 167.68 24.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.819 -179.575 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.512 HG12 ' HD1' ' A' 1559 ' ' TYR . 85.3 mt -136.08 112.88 13.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.689 179.795 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 62.1 m -112.27 141.43 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.215 -179.706 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.4 p -141.36 137.55 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -106.3 -71.66 0.74 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1554 ' ' ASN . . . . . 0.444 ' OD1' HG23 ' A' 1555 ' ' VAL . 6.2 p30 -157.47 -45.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.444 HG23 ' OD1' ' A' 1554 ' ' ASN . 99.1 t -126.41 -56.42 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.72 108.76 14.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 179.951 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -82.1 156.0 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.922 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.791 ' HG2' HG22 ' A' 1583 ' ' ILE . 96.1 mttt -144.65 104.88 4.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.584 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 91.2 m-85 -95.67 121.04 36.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.713 ' HB3' ' HB3' ' A' 1549 ' ' SER . 17.3 tppt? -76.56 121.11 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.125 179.412 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' 1547 ' ' ILE . . . -121.57 -177.3 3.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.03 0.443 . . . . 0.0 111.775 -179.413 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1562 ' ' THR . . . . . 0.582 HG23 ' O ' ' A' 1578 ' ' SER . 21.1 m -150.36 116.51 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.641 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.798 ' HA ' HG12 ' A' 1545 ' ' VAL . 64.3 tp -64.81 92.09 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.754 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' 1546 ' ' SER . 85.7 mt -56.24 -55.15 36.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.026 0.441 . . . . 0.0 110.854 -179.037 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.779 ' O ' ' HB3' ' A' 1543 ' ' TYR . 9.6 m-20 -144.14 163.51 33.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.708 179.623 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.775 HG23 HD11 ' A' 1563 ' ' LEU . 0.3 OUTLIER -141.79 106.91 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -179.327 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.637 ' H ' ' HB2' ' A' 1543 ' ' TYR . 57.0 m-85 -63.05 -33.44 75.44 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.358 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' A' 1541 ' ' TYR . 62.6 tttp -133.92 112.43 11.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.101 -1.409 . . . . 0.0 108.778 178.588 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1569 ' ' THR . . . . . 0.405 HG23 ' O ' ' A' 1574 ' ' ALA . 91.6 m -51.07 145.34 7.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.117 -178.913 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.496 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -82.28 129.87 9.33 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.047 179.433 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.778 ' H ' ' HB1' ' A' 1540 ' ' ALA . 39.0 mt-10 -67.02 -12.87 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 111.169 -179.711 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -112.55 71.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 179.678 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 99.3 t 49.78 89.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.544 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.496 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -150.16 127.51 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.916 179.527 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -140.62 164.46 30.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.807 -179.928 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.546 ' NZ ' ' HB2' ' A' 1576 ' ' LYS . 4.4 ttmp? -60.02 109.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.635 179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1577 ' ' ASP . . . . . . . . . . . . . 19.9 t70 68.15 71.11 0.32 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.663 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.582 ' O ' HG23 ' A' 1562 ' ' THR . 39.2 p -126.83 -167.46 1.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.8 131.02 52.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.72 HD12 ' HE1' ' A' 1582 ' ' PHE . 15.3 pt -143.31 165.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.048 -179.796 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 28.9 m -137.28 129.4 29.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.543 -179.77 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.72 ' HE1' HD12 ' A' 1580 ' ' ILE . 49.5 m-85 -115.42 103.33 10.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.61 179.493 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.791 HG22 ' HG2' ' A' 1558 ' ' LYS . 47.7 pt -88.59 146.43 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.302 -179.718 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.584 ' HE2' ' HE2' ' A' 1559 ' ' TYR . 39.4 ttpt -130.79 149.64 52.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.822 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.463 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 96.0 mttt -87.06 171.02 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.683 179.729 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.7 p -77.4 -25.83 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -179.855 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.7 p -67.48 -33.94 76.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.336 -179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 0.0 OUTLIER -65.99 94.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.879 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 8.1 t -100.65 -12.86 18.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -85.53 -13.79 47.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.426 ' HB3' ' HD2' ' A' 1584 ' ' LYS . . . -84.28 108.44 17.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.177 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -134.97 120.57 19.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.805 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.719 HD12 HG13 ' A' 1547 ' ' ILE . 2.1 pt? -135.96 178.77 6.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.973 -179.843 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.414 ' HB ' ' HD3' ' A' 1597 ' ' ARG . 46.7 t -129.87 146.43 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.713 ' HE3' ' HA ' ' A' 1549 ' ' SER . 87.2 tttt -74.69 115.4 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 119.05 -33.59 4.67 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.692 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.414 ' HD3' ' HB ' ' A' 1594 ' ' VAL . 10.7 mpt_? -67.4 164.95 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.013 0.435 . . . . 0.0 111.267 -179.871 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -110.55 136.48 49.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.627 179.911 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.81 136.61 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.354 -179.677 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' 1601 ' ' ILE . 10.4 tp -75.68 123.05 24.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.88 179.159 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.728 HD13 HG22 ' A' 1545 ' ' VAL . 1.7 mp -118.45 137.47 52.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.156 0.503 . . . . 0.0 111.904 -179.055 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.759 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 67.4 mtp -149.21 100.95 3.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.17 179.626 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.598 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -156.75 174.76 34.43 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.323 -179.448 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.717 ' HD2' HD11 ' A' 1624 ' ' LEU . 0.0 OUTLIER -66.93 174.3 3.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.893 0.378 . . . . 0.0 111.188 -179.892 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.688 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 0.0 OUTLIER -70.2 165.52 21.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.166 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' 1619 ' ' TYR . . . -67.57 -173.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.355 -179.871 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.8 mt -106.95 -174.94 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -139.91 88.62 2.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.213 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 11.2 tp -90.41 -10.16 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.401 -179.342 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.95 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 87.5 tttt 66.26 131.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.181 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 81.4 t80 -135.51 -29.27 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 6.9 t30 -144.35 -63.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -162.35 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.9 p -96.37 12.08 32.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.95 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 91.4 m-85 63.65 162.58 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.422 ' HD2' HG23 ' A' 1618 ' ' ILE . 0.2 OUTLIER -100.31 102.1 13.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.5 179.868 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.621 ' HE1' ' HB2' ' A' 1615 ' ' PHE . 2.6 m-30 -86.67 112.56 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.221 -179.657 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.758 HD12 HD13 ' A' 1583 ' ' ILE . 20.5 pt -141.47 131.39 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.423 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' 1582 ' ' PHE . 3.1 m-30 -77.54 118.62 73.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.783 -179.5 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.43 -174.55 2.31 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.621 2.214 . . . . 0.0 112.565 -179.804 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' 1584 ' ' LYS . 87.4 mt -142.53 102.52 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.796 179.776 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -127.46 -176.02 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.1 p -71.2 -11.17 60.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.717 HD11 ' HD2' ' A' 1604 ' ' LYS . 0.7 OUTLIER -87.24 -30.67 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.575 179.903 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.491 ' O ' HG13 ' A' 1627 ' ' ILE . 61.8 m -63.99 99.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.081 -179.83 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.759 ' HB3' ' HB2' ' A' 1602 ' ' MET . 59.2 t-105 -60.11 109.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.723 179.773 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' 1625 ' ' THR . 71.8 mt -119.21 133.12 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.424 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 39.4 tt0 -144.91 155.88 43.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.514 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 34.8 t80 -97.72 117.45 32.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.504 ' CE2' HD13 ' A' 1646 ' ' LEU . 7.2 t-105 -91.41 115.11 63.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.339 179.661 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.91 100.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.446 2.097 . . . . 0.0 112.364 -179.866 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -56.64 -27.83 59.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1633 ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' 1636 ' ' CYS . 10.8 m-20 -94.33 133.77 37.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.819 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.48 ' HA ' HD11 ' A' 1643 ' ' LEU . 72.3 p -122.21 4.52 9.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.002 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 10.0 t -146.67 13.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' 1633 ' ' ASP . 52.6 t -57.63 -67.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.069 -179.911 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 46.8 t -155.34 -68.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 80.3 p -137.38 8.94 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.052 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 83.6 m -63.74 -24.95 67.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.725 ' HG3' HD12 ' A' 1643 ' ' LEU . 51.7 tt0 -60.93 -18.35 56.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.277 179.895 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.35 -33.12 67.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.278 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 61.5 t80 -80.17 -25.19 39.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.853 ' HA ' HD12 ' A' 1646 ' ' LEU . 62.6 mt -62.83 -24.35 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 -179.872 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -57.71 -58.16 9.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.597 -179.629 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 31.4 p30 -64.47 -12.31 42.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.073 -179.814 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' 1643 ' ' LEU . 94.4 mt -83.42 -38.66 21.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.814 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -72.19 -26.96 62.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.736 179.766 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.45 6.18 9.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.674 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.501 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 58.8 t80 -123.26 -26.4 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.64 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1650 ' ' ALA . . . . . 0.4 ' HA ' ' OH ' ' A' 1567 ' ' TYR . . . -67.05 -72.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.382 -179.916 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1651 ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' 1654 ' ' PHE . 25.8 tt0 -69.87 -9.58 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 -179.6 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' 1656 ' ' ASN . 29.8 t70 -69.95 -65.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.821 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' 1649 ' ' PHE . 18.7 tt -70.57 -22.33 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.794 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1654 ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' 1651 ' ' GLU . 55.8 t80 -70.77 -50.98 30.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' 1655 ' ' LEU . 6.2 tt -79.25 -53.65 6.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.73 -179.638 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.2 m-20 -74.3 -71.46 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.064 -179.74 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 106.18 -170.59 16.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.583 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.144 179.96 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 54.4 m -144.46 -36.79 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 47.7 t60 -96.54 113.62 25.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 57.7 ttp -99.21 145.24 27.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 179.927 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -107.17 124.65 50.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.62 -9.54 59.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.267 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' 1516 ' ' GLN . 1.3 m 56.01 -156.45 0.27 Allowed 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.122 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.469 ' O ' HD12 ' A' 1627 ' ' ILE . . . -61.12 80.09 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.763 178.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' 1514 ' ' CYS . 0.3 OUTLIER -48.09 127.77 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 110.938 -179.594 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' 1590 ' ' ASN . 15.2 ptp -95.78 154.85 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.976 -179.887 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -97.97 177.94 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.13 -176.59 0.3 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.91 -173.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1521 ' ' LEU . . . . . 0.664 HD13 ' HG3' ' A' 1631 ' ' PRO . 2.5 pt? -58.14 132.47 53.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1522 ' ' ASP . . . . . 0.468 ' OD1' HG23 ' A' 1524 ' ' THR . 52.4 t0 -152.7 133.15 13.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' 1523 ' ' LEU . 4.5 mp -82.16 22.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.315 -179.603 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1524 ' ' THR . . . . . 0.468 HG23 ' OD1' ' A' 1522 ' ' ASP . 75.8 p -95.18 -20.6 19.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 111.316 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.7 mt -80.5 136.63 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 37.7 t -87.23 175.09 8.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.13 39.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.231 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.491 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.5 mt-10 -75.67 -18.26 59.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 26.4 m -62.91 -18.17 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.548 ' NH2' ' HG2' ' A' 1628 ' ' GLU . 59.9 mtt180 -122.5 -24.7 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.994 -179.851 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.721 ' HE2' HD13 ' A' 1653 ' ' ILE . 2.5 tppp? -74.47 -36.63 63.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.332 -179.766 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -74.31 7.32 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.747 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 24.0 m -135.84 -21.47 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.034 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -77.51 -12.27 59.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.9 t -100.45 -29.25 12.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.5 mtmt -63.36 146.57 96.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1537 ' ' PRO . . . . . 0.46 ' O ' ' HE2' ' A' 1604 ' ' LYS . 37.1 Cg_exo -60.24 -11.97 18.13 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.65 2.234 . . . . 0.0 112.353 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.91 -8.17 34.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.013 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.511 ' CG2' ' HB3' ' A' 1602 ' ' MET . 46.0 mm -128.87 118.8 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 111.987 -179.311 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.497 ' HB2' ' N ' ' A' 1605 ' ' GLU . . . -74.65 -73.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.366 178.837 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.723 ' HB2' HD11 ' A' 1566 ' ' ILE . 48.2 p90 -108.09 132.94 53.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.042 179.637 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.592 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -139.72 116.41 10.82 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.489 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.702 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER 176.29 -124.41 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.229 178.29 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' 1543 ' ' TYR . 36.9 ttpt -126.77 132.4 51.07 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 111.991 -177.411 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.678 HG12 ' HA ' ' A' 1563 ' ' LEU . 6.1 m -137.08 147.34 27.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.079 179.521 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.411 ' CB ' HD21 ' A' 1564 ' ' LEU . 18.5 t -117.62 156.58 27.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 111.41 -179.207 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 37.8 mm -96.82 139.3 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.412 179.547 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 2.4 t -138.56 -10.33 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.679 -179.583 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.928 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 63.4 m -157.17 132.25 8.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 111.261 179.911 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 81.4 mt -131.29 109.96 17.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 77.5 m -125.12 143.35 50.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.4 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.555 HG23 HG22 ' A' 1557 ' ' VAL . 7.3 p -133.5 137.63 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.76 179.756 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -95.86 -80.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.01 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -131.49 -72.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.981 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 83.9 t -104.93 -45.22 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' 1584 ' ' LYS . 85.8 m-85 -83.27 120.85 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.555 HG22 HG23 ' A' 1552 ' ' VAL . 24.1 t -99.7 126.77 53.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.662 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.8 OUTLIER -99.62 153.18 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.164 -179.801 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -139.35 106.69 5.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.972 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.928 ' HB2' ' HB2' ' A' 1549 ' ' SER . 3.5 mmmp? -84.12 99.96 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.705 179.767 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -116.35 165.0 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1562 ' ' THR . . . . . 0.462 ' O ' HD22 ' A' 1564 ' ' LEU . 2.4 m -121.38 120.9 36.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.939 179.808 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.798 HD21 ' HB ' ' A' 1566 ' ' ILE . 21.0 tp -69.31 100.55 1.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.207 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' 1562 ' ' THR . 4.3 mm? -59.73 -57.49 12.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.038 0.447 . . . . 0.0 110.803 -179.257 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.702 ' O ' ' HB3' ' A' 1543 ' ' TYR . 8.9 m-20 -136.04 155.95 49.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.12 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.798 ' HB ' HD21 ' A' 1563 ' ' LEU . 9.4 tp -133.5 119.8 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.749 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.622 ' H ' ' HB2' ' A' 1543 ' ' TYR . 22.3 m-85 -81.21 -67.3 0.79 Allowed 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.791 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' 1541 ' ' TYR . 6.9 tmtm? -96.41 106.31 18.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.759 178.238 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1569 ' ' THR . . . . . 0.512 HG23 ' O ' ' A' 1574 ' ' ALA . 36.1 m -48.84 137.2 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.851 -179.025 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.761 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -81.88 120.65 5.2 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.106 179.585 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.17 -22.9 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -95.01 45.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.406 179.37 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 71.5 t 62.21 94.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.204 -179.599 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.761 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -149.44 122.87 9.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.846 179.75 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' 1563 ' ' LEU . 14.0 mm-40 -147.19 149.27 32.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -42.26 127.27 3.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.996 179.63 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' 1563 ' ' LEU . 16.8 t70 61.09 74.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.59 -179.64 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 28.7 t -137.39 -168.09 2.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.651 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -112.2 128.74 56.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.501 HD12 ' HZ ' ' A' 1582 ' ' PHE . 9.8 pt -141.65 146.45 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.367 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 87.2 m -133.51 140.03 46.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.554 ' HB3' HD21 ' A' 1621 ' ' LEU . 4.4 m-85 -122.93 146.11 47.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.662 HG22 ' HG3' ' A' 1558 ' ' LYS . 46.9 pt -127.82 148.92 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.177 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.77 ' HB3' HD12 ' A' 1621 ' ' LEU . 54.3 pttt -147.42 -167.23 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.6 mptp? -112.63 -176.05 2.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.777 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 26.6 m -90.7 -1.61 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.028 179.762 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.6 p -95.0 -32.48 13.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' 1514 ' ' CYS . 71.2 m -70.25 83.44 0.54 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 77.4 p -92.83 -12.21 31.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.406 ' O ' ' HG2' ' A' 1517 ' ' MET . 16.6 m120 -76.19 -24.71 54.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.739 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -105.5 88.79 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -127.86 104.48 7.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.756 179.865 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' 1593 ' ' LEU . 4.5 mp -81.47 161.64 23.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.8 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 70.9 t -109.84 142.55 22.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.046 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -70.99 136.27 48.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.85 65.17 3.18 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.735 179.781 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.58 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 21.8 ttm180 -169.27 139.69 2.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -78.55 138.68 38.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.288 -179.671 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.531 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 63.3 m-85 -144.75 131.51 20.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.412 -179.754 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.616 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 0.3 OUTLIER -68.9 123.74 21.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.632 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' 1626 ' ' TRP . 29.3 mt -139.05 141.88 35.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.829 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.511 ' HB3' ' CG2' ' A' 1539 ' ' ILE . 22.3 mtm -130.34 89.95 2.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.089 178.413 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' 1541 ' ' TYR . . . -92.87 153.87 21.73 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.439 -178.485 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' A' 1537 ' ' PRO . 29.1 tptp -91.31 162.63 14.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 110.642 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.497 ' N ' ' HB2' ' A' 1540 ' ' ALA . 41.0 tt0 -52.09 132.4 32.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . -91.86 -170.24 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.288 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.474 ' N ' HD22 ' A' 1607 ' ' LEU . 3.4 mm? -89.83 -166.36 1.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -162.49 101.39 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.198 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 1.1 mt -89.23 -36.49 8.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.52 -179.092 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.774 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 61.1 tttm 52.39 91.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.247 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1611 ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' 1614 ' ' SER . 96.8 m-85 -90.75 176.67 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 44.8 t30 -70.82 -41.04 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -77.12 -42.96 35.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1614 ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' 1611 ' ' TYR . 47.6 t -167.87 140.48 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.774 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 36.2 p90 -68.18 153.83 42.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.674 ' HG2' HG12 ' A' 1618 ' ' ILE . 29.7 ttm180 -134.07 146.73 50.6 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.052 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -120.61 -60.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.674 HG12 ' HG2' ' A' 1616 ' ' ARG . 46.8 mm 62.97 108.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.332 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -85.9 137.69 35.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.15 -176.15 3.09 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.575 2.183 . . . . 0.0 112.239 179.871 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.77 HD12 ' HB3' ' A' 1584 ' ' LYS . 86.1 mt -143.09 48.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -60.69 177.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1623 ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' 1514 ' ' CYS . 56.6 p -78.32 8.8 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 -179.784 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.5 pp -106.07 5.43 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 179.703 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 91.6 m -86.94 114.34 23.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' 1601 ' ' ILE . 53.5 t-105 -71.75 130.41 41.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' 1515 ' ' GLY . 70.5 mt -136.16 137.22 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.616 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 9.0 tp10 -150.6 155.22 38.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.675 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.58 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 18.0 t80 -91.04 120.04 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -101.27 117.35 62.33 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.251 179.496 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.664 ' HG3' HD13 ' A' 1521 ' ' LEU . 72.5 Cg_exo -50.73 102.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.585 2.19 . . . . 0.0 112.434 -179.832 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -60.77 -25.72 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -108.95 144.49 36.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.547 HG22 ' HG ' ' A' 1643 ' ' LEU . 81.3 p -140.91 -8.75 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.875 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 77.6 p -62.68 -39.42 93.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1636 ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' 1639 ' ' CYS . 52.7 t -73.99 146.44 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 48.2 t -64.49 -36.24 83.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.2 t -79.37 -18.86 51.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' 1636 ' ' CYS . 82.1 m -97.69 17.66 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.82 ' HA ' HD23 ' A' 1643 ' ' LEU . 35.8 tt0 -135.87 74.31 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -135.96 -59.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.815 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.537 ' CB ' ' HB2' ' A' 1521 ' ' LEU . 55.2 t80 -65.36 -21.15 66.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.776 179.721 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.82 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.4 mm? -64.09 -16.63 62.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.03 5.45 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 179.616 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 18.2 m120 -105.29 -6.98 19.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.719 179.683 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' 1646 ' ' LEU . 2.9 mm? -101.69 -22.93 14.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.3 -34.52 78.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.792 -179.836 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.6 -31.74 41.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.689 179.863 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.462 ' O ' HG22 ' A' 1653 ' ' ILE . 84.6 t80 -81.79 -7.91 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.684 179.858 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -87.78 -65.6 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.637 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.87 -6.1 11.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.693 -179.063 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.57 -75.01 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.697 0.284 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.721 HD13 ' HE2' ' A' 1531 ' ' LYS . 4.3 tp -53.52 -31.7 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.992 179.851 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 68.3 t80 -70.81 -53.37 15.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.193 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 37.0 tp -87.91 -69.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 -179.422 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -60.01 -74.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.262 -179.586 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 95.66 160.16 33.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.304 -179.714 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.038 -179.861 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.2 p -147.4 -6.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -91.34 13.17 18.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 86.3 mtp -61.46 123.43 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -144.48 145.1 31.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1513 ' ' ASP . . . . . 0.41 ' HA ' ' ND2' ' A' 1590 ' ' ASN . 6.7 m-20 -86.59 31.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.055 -179.889 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 40.5 t -49.36 128.72 17.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.575 179.644 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 83.6 -46.38 3.64 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.895 -179.125 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.5 tt0 53.18 95.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 111.372 179.652 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 24.4 ptm -103.46 149.59 24.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.802 179.839 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -88.28 176.07 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.04 -179.842 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.4 -175.29 0.79 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -97.85 -85.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 73.0 mt -102.36 102.28 12.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.102 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -147.93 113.5 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.772 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 52.5 mt -81.38 8.29 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.005 -179.689 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 68.7 p -74.06 -21.42 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.7 mt -95.63 129.44 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.1 m -92.29 -172.64 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -74.73 -58.39 3.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.253 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.846 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.5 mt-10 -65.64 -15.66 62.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.337 -179.88 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 93.0 m -56.27 -42.18 77.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' 1530 ' ' ARG . 14.6 ptt180 -115.62 0.34 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.846 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 19.8 tptm -77.85 -30.57 51.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 -179.833 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' 1528 ' ' GLU . 9.2 mm100 -63.81 -10.07 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.946 0.403 . . . . 0.0 110.438 179.675 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.746 ' HA ' ' HG3' ' A' 1536 ' ' LYS . 28.0 m -95.59 -18.75 20.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.891 179.772 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.44 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -77.13 3.31 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.655 -179.773 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.1 t -141.38 16.19 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.276 -179.864 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.746 ' HG3' ' HA ' ' A' 1533 ' ' THR . 97.7 mttt -69.45 154.62 94.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.783 179.769 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.31 -20.16 55.51 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.494 2.129 . . . . 0.0 112.291 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.872 ' HG3' HD12 ' A' 1539 ' ' ILE . 5.6 pt-20 -90.67 -44.9 9.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.879 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -62.74 111.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.677 179.615 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.88 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.354 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.517 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.9 p90 -117.39 160.08 21.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.19 0.519 . . . . 0.0 111.813 -179.329 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.672 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.23 100.15 3.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.989 179.477 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.65 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.0 OUTLIER -151.78 178.46 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 0.0 111.724 -179.095 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.527 ' HE2' ' HB2' ' A' 1565 ' ' ASP . 65.1 pttt -115.54 138.88 50.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.568 179.743 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.863 HG12 ' HA ' ' A' 1563 ' ' LEU . 10.1 m -136.45 -178.29 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.399 -179.539 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.456 ' CB ' HD11 ' A' 1564 ' ' LEU . 10.5 t -148.43 130.32 15.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 179.76 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' 1561 ' ' ALA . 49.0 mm -66.25 139.49 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.834 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 56.1 p -129.95 -26.32 2.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.552 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.782 ' HA ' ' HE2' ' A' 1595 ' ' LYS . 72.4 m -151.72 155.35 38.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.331 -179.568 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.5 mt -132.92 120.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.3 m -109.98 140.64 43.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 -179.891 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.3 p -141.58 140.59 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -118.66 -77.04 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.201 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 45.8 t30 -120.23 -75.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.031 -179.661 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' 1556 ' ' PHE . 5.7 m -111.35 -49.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.261 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1556 ' ' PHE . . . . . 0.419 ' N ' HG23 ' A' 1555 ' ' VAL . 96.3 m-85 -73.89 128.04 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.758 179.88 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' 1557 ' ' VAL . 5.2 p -107.85 117.1 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.281 -179.892 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.841 ' HG3' HG22 ' A' 1583 ' ' ILE . 4.0 mptp? -84.7 152.32 23.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.638 179.823 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' 1581 ' ' THR . 87.0 m-85 -131.81 113.03 13.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.24 -179.889 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -92.83 109.33 20.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.692 179.586 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.591 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -125.52 175.81 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.295 -179.851 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 5.0 m -120.35 134.86 55.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.019 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.863 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.0 tp -77.23 102.34 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.396 179.464 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.2 mp -57.12 -58.12 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.341 -179.022 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.618 ' O ' ' HB2' ' A' 1543 ' ' TYR . 7.1 m-20 -152.42 158.48 42.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.54 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.769 HG12 HD21 ' A' 1563 ' ' LEU . 54.5 mt -109.14 134.25 51.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.019 0.438 . . . . 0.0 111.799 -179.746 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.598 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 61.0 m-85 -113.37 -14.07 12.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.224 178.521 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.672 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 86.9 tttt -159.76 114.6 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.864 179.161 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 42.9 m -46.29 150.29 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 0.0 111.832 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.779 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -107.94 135.75 13.01 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.351 -179.837 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -63.02 -25.9 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.623 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1572 ' ' ALA . . . . . 0.511 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -89.7 42.53 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.337 179.436 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 84.5 t 56.56 89.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.322 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.779 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.85 131.94 53.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.414 179.359 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.638 ' HB3' ' HB3' ' A' 1578 ' ' SER . 35.4 tt0 -135.82 144.48 45.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.475 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -59.18 123.9 18.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.628 ' HA ' ' O ' ' A' 1563 ' ' LEU . 18.6 t70 64.95 34.17 9.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.093 0.473 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.638 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 66.9 p -84.07 -167.85 1.92 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.667 179.408 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -109.46 144.2 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.682 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.6 HD12 ' HE1' ' A' 1582 ' ' PHE . 31.2 pt -138.32 150.05 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.317 -179.876 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1581 ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' 1559 ' ' TYR . 18.3 m -140.11 97.83 3.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.967 179.763 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.6 ' HE1' HD12 ' A' 1580 ' ' ILE . 60.7 m-85 -92.87 124.91 37.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.886 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.841 HG22 ' HG3' ' A' 1558 ' ' LYS . 42.2 pt -102.01 136.84 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.43 . . . . 0.0 111.062 179.913 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.675 ' HB2' HD23 ' A' 1621 ' ' LEU . 36.7 ttpt -125.54 155.29 40.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.847 -179.718 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.522 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 66.8 mttm -82.48 -178.04 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.613 179.666 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.5 p -95.67 -15.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.2 p -86.71 -23.41 25.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.314 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 30.1 m -59.22 108.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.016 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 63.7 m -99.67 -41.53 7.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1590 ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' 1513 ' ' ASP . 2.7 m-20 -66.18 -18.53 65.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -91.38 106.98 18.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -129.44 124.42 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.4 mt -122.66 151.53 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.49 HG13 ' HB2' ' A' 1597 ' ' ARG . 9.2 p -136.64 143.85 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.782 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.1 ttmt -76.01 126.16 30.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 115.81 -38.54 3.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.716 179.749 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.49 ' HB2' HG13 ' A' 1594 ' ' VAL . 0.0 OUTLIER -79.03 170.41 16.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.937 0.398 . . . . 0.0 111.298 -179.763 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A 1598 ' ' GLN . . . . . 0.685 ' HB2' ' HB3' ' A' 1630 ' ' TRP . 76.9 mt-30 -113.92 149.93 34.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.693 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1599 ' ' TYR . . . . . 0.43 ' OH ' HG12 ' A' 1594 ' ' VAL . 98.0 m-85 -143.74 135.77 26.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 111.395 -179.892 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 51.0 tp -84.48 128.71 34.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.275 179.369 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.479 HG22 ' HE1' ' A' 1541 ' ' TYR . 41.6 mm -116.18 124.41 72.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.942 0.401 . . . . 0.0 111.64 -179.382 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1602 ' ' MET . . . . . . . . . . . . . 73.4 mtp -144.68 115.42 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.321 179.758 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.879 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 173.02 -164.65 36.7 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.541 -179.865 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' 1605 ' ' GLU . 3.9 tppp? -54.03 163.78 0.72 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.919 0.39 . . . . 0.0 111.274 -179.549 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' 1604 ' ' LYS . 12.1 pt-20 -71.43 -170.4 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1606 ' ' ALA . . . . . 0.513 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -102.96 175.64 5.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.351 -179.872 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' 1607 ' ' LEU . 6.8 mp -93.26 -165.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.639 179.774 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' 1617 ' ' TYR . 48.0 tt0 -169.84 97.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.262 179.885 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.605 ' HB ' ' HB3' ' A' 1615 ' ' PHE . 5.9 mm -108.37 -22.42 5.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.446 -179.498 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.633 ' HG2' ' HB2' ' A' 1614 ' ' SER . 38.2 tptt 179.73 -141.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.266 179.895 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1611 ' ' TYR . . . . . 0.499 ' H ' ' HG3' ' A' 1610 ' ' LYS . 15.5 p90 -168.67 105.91 0.44 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 57.9 t30 63.69 153.25 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.318 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 63.57 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.527 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1614 ' ' SER . . . . . 0.633 ' HB2' ' HG2' ' A' 1610 ' ' LYS . 53.6 m -71.01 -83.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.061 -179.727 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.605 ' HB3' ' HB ' ' A' 1609 ' ' ILE . 97.4 m-85 -134.0 -158.52 0.89 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.663 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.611 ' HG2' ' H ' ' A' 1617 ' ' TYR . 67.3 ttt180 177.88 176.11 0.45 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.754 0.312 . . . . 0.0 110.658 -179.409 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.611 ' H ' ' HG2' ' A' 1616 ' ' ARG . 40.0 m-85 -57.2 -50.93 71.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.085 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' 1618 ' ' ILE . 23.8 pt 36.89 99.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.291 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 47.7 m-85 -55.16 138.85 65.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.047 -179.81 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1620 ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' 1606 ' ' ALA . 62.1 Cg_endo -72.68 -172.64 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.519 2.146 . . . . 0.0 112.019 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.691 HD11 HD11 ' A' 1627 ' ' ILE . 31.7 tp -166.15 97.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1622 ' ' ASP . . . . . 0.621 ' HB2' HD12 ' A' 1624 ' ' LEU . 9.9 m-20 -135.22 -167.78 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 -179.901 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 75.9 p -67.53 -32.87 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.723 -179.383 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.621 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -71.3 -7.5 47.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 111.048 -179.574 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A 1625 ' ' THR . . . . . 0.596 ' N ' HD13 ' A' 1624 ' ' LEU . 62.7 m -87.28 104.2 16.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.991 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -65.4 111.1 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.691 HD11 HD11 ' A' 1621 ' ' LEU . 67.9 mt -114.75 129.1 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.696 179.747 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1628 ' ' GLU . . . . . 0.717 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.3 tt0 -131.52 157.3 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.111 -179.831 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -97.53 128.29 44.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.685 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 3.3 t-105 -105.08 103.74 43.33 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.87 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.501 ' HB2' HD11 ' A' 1643 ' ' LEU . 51.8 Cg_exo -54.51 108.11 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.592 2.195 . . . . 0.0 112.323 -179.84 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -75.42 -25.45 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.765 179.827 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.23 128.75 36.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.774 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.434 HG22 ' HG ' ' A' 1643 ' ' LEU . 77.8 p -133.66 -57.78 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 10.2 t -91.35 10.51 27.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 85.1 m -76.22 -33.58 59.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 51.9 m -137.27 -78.63 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.9 p -173.27 8.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 17.7 p -82.49 98.88 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.454 ' HA ' HD23 ' A' 1643 ' ' LEU . 48.7 mt-30 -141.84 -5.81 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.43 75.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 69.3 t80 -78.26 -42.14 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.544 ' H ' HD22 ' A' 1643 ' ' LEU . 2.8 mm? -65.35 -13.94 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -78.43 -32.06 48.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.855 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -70.35 -28.57 65.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.755 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.427 HD23 ' CZ3' ' A' 1630 ' ' TRP . 8.9 mp -79.06 -17.93 54.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.77 -46.67 81.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 179.853 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1648 ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' 1652 ' ' ASP . 10.3 tp10 -69.73 -40.82 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.67 179.768 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.476 ' O ' HG22 ' A' 1653 ' ' ILE . 89.4 t80 -61.03 -24.27 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.062 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -76.16 -55.31 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.567 -179.687 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -75.04 -4.88 41.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.408 -179.15 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' 1648 ' ' GLU . 14.0 t70 -85.72 -62.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.734 HD13 ' HE3' ' A' 1531 ' ' LYS . 6.8 tp -60.86 -25.44 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.975 0.416 . . . . 0.0 110.909 179.775 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 66.5 t80 -78.14 -49.77 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.218 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.4 tt -90.35 -69.29 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 -179.415 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -58.1 -18.58 25.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.555 -179.58 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' 1653 ' ' ILE . . . 71.77 -123.22 9.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.31 -179.811 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.935 179.807 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 55.9 m -86.83 -66.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.786 0.327 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -157.12 -3.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.4 ptm -167.45 139.49 3.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -150.51 122.46 8.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 179.913 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.56 -81.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 42.2 t 50.57 35.14 10.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.376 0.607 . . . . 0.0 110.706 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.779 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 160.52 -48.09 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.103 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1516 ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' 1515 ' ' GLY . 76.8 mt-30 74.32 -48.28 0.65 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.856 0.463 . . . . 0.0 111.863 179.565 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.519 ' HG2' ' HA ' ' A' 1591 ' ' ALA . 24.9 mmt 54.21 -172.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 111.08 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -143.46 148.53 36.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.785 179.851 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.69 170.07 11.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.45 120.99 21.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 70.3 mt 57.12 94.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.069 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -121.2 99.88 6.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.82 89.93 8.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.392 -179.425 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1524 ' ' THR . . . . . 0.409 ' H ' ' H ' ' A' 1525 ' ' ILE . 7.7 t -179.86 -13.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.772 179.64 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1525 ' ' ILE . . . . . 0.507 HG23 HG21 ' A' 1529 ' ' THR . 80.6 mt -95.75 137.7 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 79.6 p -84.84 -177.45 6.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1527 ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' 1531 ' ' LYS . . . -101.06 -13.15 18.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -93.81 -6.15 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1529 ' ' THR . . . . . 0.507 HG21 HG23 ' A' 1525 ' ' ILE . 10.1 t -70.98 -31.36 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.437 HH21 HD23 ' A' 1646 ' ' LEU . 15.4 ptt-85 -110.88 -22.21 11.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.135 -179.564 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.603 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 13.1 tmtt? -59.56 -50.53 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' 1536 ' ' LYS . 11.6 pt20 -64.83 -16.28 62.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.189 179.442 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.46 HG23 ' NZ ' ' A' 1536 ' ' LYS . 90.7 m -83.26 -26.92 30.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.71 179.578 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1534 ' ' ALA . . . . . 0.489 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -67.47 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.042 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.7 t -65.5 -10.1 31.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.803 ' HE3' ' HB3' ' A' 1538 ' ' GLU . 38.6 ttpt -59.66 137.32 89.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.831 179.833 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.41 -14.4 12.5 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.674 2.249 . . . . 0.0 112.798 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.803 ' HB3' ' HE3' ' A' 1536 ' ' LYS . 42.2 tt0 -79.95 -31.01 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.716 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.873 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -104.78 112.14 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.665 179.775 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.667 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -67.25 -70.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.551 -179.743 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.507 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.5 p90 -96.21 155.91 16.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.397 0.618 . . . . 0.0 111.898 -179.13 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.678 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.05 96.59 2.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.506 179.202 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.665 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.5 OUTLIER -150.91 176.45 11.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.532 . . . . 0.0 112.042 -178.795 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.469 ' HG2' HD12 ' A' 1564 ' ' LEU . 84.0 tttt -111.71 136.61 50.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.322 179.504 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' 1563 ' ' LEU . 17.7 m -129.65 -175.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.373 . . . . 0.0 111.351 -179.692 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.483 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.1 t -151.0 122.01 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.825 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1547 ' ' ILE . . . . . 0.652 HD11 HD13 ' A' 1593 ' ' LEU . 43.1 mm -58.09 136.72 21.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1548 ' ' THR . . . . . 0.472 ' O ' ' HE2' ' A' 1595 ' ' LYS . 46.3 p -132.21 -18.3 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.345 -179.679 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 65.3 m -153.11 138.18 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.896 0.379 . . . . 0.0 111.37 -179.562 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.3 mt -131.31 111.41 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 57.2 m -107.36 137.46 45.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 11.8 p -129.07 141.1 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -120.36 -166.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -53.62 -58.43 7.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.506 ' O ' ' HB ' ' A' 1586 ' ' VAL . 32.4 t -118.24 -56.37 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -65.82 163.74 16.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 7.3 p -156.05 140.07 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 179.822 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.68 ' HG2' HG22 ' A' 1583 ' ' ILE . 91.1 mttt -125.18 154.84 40.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.951 0.405 . . . . 0.0 111.402 -179.462 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -133.17 102.62 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.564 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.403 ' HB2' ' HB2' ' A' 1549 ' ' SER . 60.2 mttp -87.87 132.75 34.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.778 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1561 ' ' ALA . . . . . 0.532 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -141.43 167.0 23.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.31 -179.718 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.5 m -108.24 125.52 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.016 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.829 ' HA ' HG12 ' A' 1545 ' ' VAL . 14.0 tp -65.64 112.11 3.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.225 179.314 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.61 ' H ' ' HA ' ' A' 1545 ' ' VAL . 81.9 mt -65.73 -59.48 3.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.204 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.633 ' O ' ' HB2' ' A' 1543 ' ' TYR . 8.6 m-20 -152.86 154.43 35.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.688 HG12 HD21 ' A' 1563 ' ' LEU . 54.9 mt -102.05 130.52 51.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.906 0.384 . . . . 0.0 111.88 -179.65 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.608 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 52.9 m-85 -106.31 -15.99 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.103 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.678 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 82.9 tttt -159.93 107.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.412 178.875 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 34.5 m -43.21 137.06 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.361 0.601 . . . . 0.0 112.274 -178.985 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.704 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -84.09 139.39 18.34 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.597 179.113 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1571 ' ' GLU . . . . . 0.667 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 28.4 mt-10 -53.2 -20.86 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.182 0.515 . . . . 0.0 110.087 179.761 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -90.33 -157.02 0.45 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.735 178.449 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1573 ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' 1573 ' ' VAL . 11.7 p -82.9 42.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.232 0.539 . . . . 0.0 110.978 179.631 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1574 ' ' ALA . . . . . 0.704 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -67.52 114.68 6.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.774 179.662 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.542 ' HB2' ' OG ' ' A' 1578 ' ' SER . 23.1 mm-40 -134.02 144.71 48.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.474 ' HB3' ' NZ ' ' A' 1576 ' ' LYS . 6.0 ttpm? -52.07 121.66 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.68 -179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.616 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 65.7 60.14 0.72 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.732 -179.855 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.542 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 52.2 m -115.48 -175.86 2.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.718 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -105.48 133.74 49.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.716 179.772 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.616 HD12 ' HE2' ' A' 1582 ' ' PHE . 8.5 pt -139.38 140.36 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 -179.639 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 18.9 m -122.34 112.96 18.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.616 ' HE2' HD12 ' A' 1580 ' ' ILE . 89.7 m-85 -98.43 101.33 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.772 179.729 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.68 HG22 ' HG2' ' A' 1558 ' ' LYS . 36.1 pt -85.65 158.82 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.213 -179.801 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' 1585 ' ' LYS . 6.0 tmmm? -164.03 143.33 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.445 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' 1584 ' ' LYS . 46.0 mmtm -57.6 -89.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.061 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' A' 1555 ' ' VAL . 14.6 p 177.25 -15.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.6 p -68.12 -36.52 79.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.061 -179.727 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.3 m -60.64 95.19 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 61.0 m -92.01 -36.58 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.354 -179.749 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.43 -26.52 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.779 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -95.97 119.27 34.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -150.14 148.57 29.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.783 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1593 ' ' LEU . . . . . 0.652 HD13 HD11 ' A' 1547 ' ' ILE . 92.1 mt -128.38 145.3 51.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.655 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 57.6 t -105.2 141.54 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1595 ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.1 tttm -77.67 133.06 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 94.75 -15.04 64.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.733 179.653 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.655 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 93.6 mtt180 -92.11 173.94 7.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.047 0.451 . . . . 0.0 111.481 -179.812 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -113.61 138.53 50.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -142.98 135.52 27.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.964 0.412 . . . . 0.0 111.43 -179.804 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.59 ' O ' ' HA ' ' A' 1627 ' ' ILE . 46.9 tp -83.53 134.26 34.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.881 179.06 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.487 HG12 HG12 ' A' 1627 ' ' ILE . 83.4 mt -131.17 131.9 63.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.091 0.472 . . . . 0.0 112.173 -179.072 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.508 ' HB3' HG21 ' A' 1539 ' ' ILE . 28.0 mtm -144.92 123.19 12.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.93 179.018 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.873 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.95 -170.91 41.56 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.049 -1.072 . . . . 0.0 113.336 -179.587 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.426 ' HG2' HD21 ' A' 1624 ' ' LEU . 37.6 mmtm -51.27 165.37 0.14 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.881 0.372 . . . . 0.0 111.387 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.5 pt-20 -71.02 -170.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.055 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -95.09 -178.65 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.25 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' 1617 ' ' TYR . 94.8 mt -103.21 -164.05 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -174.63 102.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.468 HG22 ' CB ' ' A' 1616 ' ' ARG . 10.0 tp -95.96 4.91 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.403 -179.319 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.539 ' HA ' ' HD1' ' A' 1615 ' ' PHE . 0.0 OUTLIER 60.33 -160.43 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.287 179.557 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A 1611 ' ' TYR . . . . . 0.523 ' HB2' ' O ' ' A' 1610 ' ' LYS . 78.2 m-85 75.98 28.11 0.88 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.207 179.738 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -150.34 173.67 13.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.649 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -75.46 6.8 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.615 179.633 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.7 p -170.97 22.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.137 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.571 ' HD2' ' HE1' ' A' 1617 ' ' TYR . 6.5 m-85 65.93 168.55 0.21 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.74 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.643 ' HG2' HG23 ' A' 1618 ' ' ILE . 34.6 ttm180 -71.04 -68.45 0.44 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 0.0 111.839 -178.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.581 ' HA ' ' O ' ' A' 1607 ' ' LEU . 21.4 m-85 67.95 94.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.18 -179.405 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.643 HG23 ' HG2' ' A' 1616 ' ' ARG . 40.9 pt -123.0 163.94 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.602 179.16 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1619 ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' 1582 ' ' PHE . 6.3 m-85 -116.54 129.44 25.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.129 -179.133 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.07 -177.69 3.66 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.645 2.23 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1621 ' ' LEU . . . . . . . . . . . . . 58.6 tp -153.65 111.45 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -161.75 -164.51 1.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.3 p -60.12 -39.52 86.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.219 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.541 HD11 ' HG2' ' A' 1538 ' ' GLU . 66.1 tp -59.71 -25.9 65.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.856 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 46.2 m -80.2 100.02 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.057 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1626 ' ' TRP . . . . . 0.438 ' O ' ' HA ' ' A' 1601 ' ' ILE . 69.4 t-105 -70.68 110.87 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' 1600 ' ' LEU . 67.5 mt -124.48 132.22 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.97 179.922 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -134.5 137.93 44.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.405 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 50.0 t80 -72.51 110.31 6.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.774 179.663 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -84.45 111.9 37.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.239 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.491 ' HB2' HD11 ' A' 1643 ' ' LEU . 83.1 Cg_exo -47.21 106.57 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.584 2.189 . . . . 0.0 112.454 -179.586 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -54.24 -33.15 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.022 179.847 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -106.41 157.38 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.886 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.4 p -131.27 -65.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.277 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 77.2 p -107.64 6.8 28.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.156 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 82.2 m -65.08 -47.54 76.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 46.7 t -163.15 -5.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 41.9 t -90.91 -30.49 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.919 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 49.8 t 56.33 69.82 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 37.28 73.8 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.738 179.581 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -90.3 -65.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 58.7 t80 -102.2 -13.64 17.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.727 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.886 ' HG ' HG22 ' A' 1634 ' ' THR . 2.5 mm? -67.63 -19.23 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.962 -179.798 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.95 99.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -76.1 -24.3 54.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.893 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.537 HD12 HD13 ' A' 1643 ' ' LEU . 97.2 mt -77.59 -27.63 51.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -67.77 -29.39 68.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.751 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.31 7.45 22.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.87 179.827 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.603 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 80.5 t80 -117.62 -40.63 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -69.37 -48.64 60.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -79.27 -4.86 52.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.222 -179.55 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.4 t70 -95.77 -25.1 16.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1653 ' ' ILE . . . . . . . . . . . . . 9.0 tp -96.68 -22.13 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 179.736 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 45.2 t80 -89.15 -46.95 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.39 -63.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.009 -179.343 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.1 m-20 -70.12 -43.22 71.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.167 -179.594 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 62.55 -168.46 17.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 -179.91 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.7 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.907 179.926 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.1 p -88.06 3.79 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 43.7 t60 -81.13 -45.09 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.6 ptt? -98.87 150.55 21.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -168.38 -74.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -140.38 26.18 2.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.741 179.823 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1514 ' ' CYS . . . . . 0.477 ' CB ' ' HA ' ' A' 1588 ' ' CYS . 7.4 t -48.78 103.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.267 179.67 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1515 ' ' GLY . . . . . 0.796 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 80.27 45.54 8.06 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.609 -178.911 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -45.23 123.78 4.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.532 -179.495 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1517 ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' 1515 ' ' GLY . 63.3 mtt -121.66 -169.56 1.89 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.803 179.578 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -123.98 158.26 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -71.61 177.66 3.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.081 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.59 -80.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 82.7 mt -101.71 108.48 20.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -128.02 97.61 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.41 91.67 8.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.227 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.4 t -177.48 -16.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.849 179.694 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 76.6 mt -94.81 127.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1526 ' ' SER . . . . . 0.488 ' HB2' ' OG1' ' A' 1529 ' ' THR . 36.7 m -87.41 163.46 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -62.53 -57.94 9.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1528 ' ' GLU . . . . . 0.574 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 6.1 pt-20 -58.62 -26.01 63.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.543 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1529 ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' A' 1526 ' ' SER . 85.1 m -58.15 -44.23 87.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.315 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1530 ' ' ARG . . . . . 0.436 ' NH2' HD23 ' A' 1646 ' ' LEU . 49.7 ptt85 -100.36 -14.15 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 -179.812 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1531 ' ' LYS . . . . . 0.574 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 1.2 tmtp? -68.25 -38.07 81.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.915 -179.798 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1532 ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.0 mt-30 -58.89 -18.79 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.951 0.405 . . . . 0.0 110.268 179.492 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.836 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 45.7 m -83.48 -28.86 28.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.578 179.619 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.98 73.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.014 179.737 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.8 t -87.85 2.02 52.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.584 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1536 ' ' LYS . . . . . 0.836 ' HE2' ' HA ' ' A' 1533 ' ' THR . 23.5 ttmm -57.81 138.82 82.66 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 179.91 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.38 -20.05 61.36 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.451 2.101 . . . . 0.0 112.143 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1538 ' ' GLU . . . . . 0.629 ' H ' ' HG2' ' A' 1536 ' ' LYS . 41.4 tt0 -85.53 -16.92 37.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.771 179.853 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1539 ' ' ILE . . . . . 0.751 HD12 ' HA2' ' A' 1603 ' ' GLY . 48.8 mm -112.19 118.44 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.891 179.874 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.465 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -77.92 -69.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.599 -179.774 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1541 ' ' TYR . . . . . 0.483 ' HB2' ' CE2' ' A' 1543 ' ' TYR . 7.2 p90 -96.48 151.64 19.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.372 0.606 . . . . 0.0 112.089 -178.842 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1542 ' ' ALA . . . . . 0.45 ' HB1' ' SD ' ' A' 1602 ' ' MET . . . -146.12 97.84 3.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.699 179.305 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1543 ' ' TYR . . . . . 0.815 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.2 p90 -154.03 174.29 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.135 0.493 . . . . 0.0 112.107 -178.735 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.54 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 62.4 pttt -111.02 147.78 34.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.596 178.819 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1545 ' ' VAL . . . . . 0.84 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.4 m -137.64 -176.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.94 0.4 . . . . 0.0 111.662 -178.942 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1546 ' ' SER . . . . . 0.771 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.0 t -145.04 124.9 13.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.932 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 42.6 mm -69.48 138.5 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.79 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 66.3 p -128.81 -29.59 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.618 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.609 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 72.9 m -151.27 152.98 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 111.424 -179.521 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1550 ' ' ILE . . . . . 0.469 HG12 ' HD2' ' A' 1559 ' ' TYR . 76.5 mt -133.98 134.92 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 83.0 m -136.35 129.02 30.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.227 -179.866 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1552 ' ' VAL . . . . . 0.685 HG13 HG22 ' A' 1557 ' ' VAL . 93.7 t -101.58 124.22 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -116.67 95.73 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 79.3 m-20 56.69 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.353 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.457 HG13 HG12 ' A' 1586 ' ' VAL . 88.7 t -107.11 -58.37 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.042 -179.851 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -69.09 119.24 13.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1557 ' ' VAL . . . . . 0.685 HG22 HG13 ' A' 1552 ' ' VAL . 59.8 t -95.28 114.97 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1558 ' ' LYS . . . . . 0.514 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.9 OUTLIER -86.64 160.31 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.918 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A 1559 ' ' TYR . . . . . 0.469 ' HD2' HG12 ' A' 1550 ' ' ILE . 97.2 m-85 -139.5 112.32 7.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1560 ' ' LYS . . . . . 0.609 ' HB2' ' HB2' ' A' 1549 ' ' SER . 75.7 mmtt -85.4 102.66 13.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.578 179.744 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -122.97 -177.35 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.187 -179.723 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.6 m -136.45 124.98 23.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1563 ' ' LEU . . . . . 0.84 ' HA ' HG12 ' A' 1545 ' ' VAL . 3.7 tt -59.94 136.26 57.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.561 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1564 ' ' LEU . . . . . 0.771 HD11 ' HB2' ' A' 1546 ' ' SER . 91.7 mt -96.16 -49.03 5.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.526 -179.091 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1565 ' ' ASP . . . . . 0.513 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 9.7 t70 -156.74 127.31 6.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1566 ' ' ILE . . . . . 0.815 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 2.7 pt -87.53 110.42 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.937 -179.686 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1567 ' ' TYR . . . . . 0.662 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 79.8 m-85 -85.2 -16.19 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.6 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1568 ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.9 tmtt? -157.94 87.61 0.94 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.823 178.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 97.8 m -36.34 136.11 0.34 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.418 -178.705 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1570 ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -71.34 -153.74 1.45 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.156 179.493 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -129.59 -19.45 3.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.87 0.367 . . . . 0.0 110.553 179.71 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -110.84 73.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.385 179.33 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 90.8 t 53.74 91.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.173 -179.506 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1574 ' ' ALA . . . . . . . . . . . . . . . -129.41 146.58 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1575 ' ' GLU . . . . . 0.861 ' HB2' ' HB3' ' A' 1578 ' ' SER . 13.8 mm-40 -156.04 159.57 39.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.802 -179.722 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.708 ' HB3' HG12 ' A' 1566 ' ' ILE . 0.0 OUTLIER -78.23 39.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.26 -179.737 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A 1577 ' ' ASP . . . . . 0.71 ' HA ' ' O ' ' A' 1563 ' ' LEU . 18.7 t70 165.41 16.7 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.567 -179.49 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1578 ' ' SER . . . . . 0.861 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 31.7 p -76.13 -170.45 1.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.044 0.45 . . . . 0.0 111.31 -179.754 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -97.85 147.99 23.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.572 179.885 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1580 ' ' ILE . . . . . 0.666 HD12 ' HE2' ' A' 1582 ' ' PHE . 20.5 pt -146.08 147.18 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.46 -179.616 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 15.4 m -136.41 100.4 4.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1582 ' ' PHE . . . . . 0.666 ' HE2' HD12 ' A' 1580 ' ' ILE . 90.6 m-85 -84.74 152.68 23.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.06 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1583 ' ' ILE . . . . . 0.812 HD13 HD12 ' A' 1618 ' ' ILE . 36.9 pt -135.32 136.79 50.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 179.563 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1584 ' ' LYS . . . . . 0.516 ' HB2' HD12 ' A' 1621 ' ' LEU . 37.3 ttpt -132.53 145.86 51.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.701 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1585 ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.7 mptp? -82.4 129.17 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 179.625 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1586 ' ' VAL . . . . . 0.457 HG12 HG13 ' A' 1555 ' ' VAL . 12.2 p -65.7 -8.43 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.7 p -86.74 -6.74 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.57 -179.767 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1588 ' ' CYS . . . . . 0.477 ' HA ' ' CB ' ' A' 1514 ' ' CYS . 34.0 m -72.77 -178.06 2.56 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.905 0.383 . . . . 0.0 111.051 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 48.9 m -154.62 -23.54 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 -179.841 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.18 9.03 38.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.07 -179.677 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1591 ' ' ALA . . . . . 0.796 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -122.69 114.56 20.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 111.191 179.851 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -139.78 140.47 36.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.728 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 88.6 mt -125.65 169.8 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1594 ' ' VAL . . . . . 0.787 HG11 ' HD2' ' A' 1597 ' ' ARG . 11.9 p -145.98 147.23 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -90.79 127.44 36.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.025 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 115.65 -24.23 10.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.771 179.796 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.787 ' HD2' HG11 ' A' 1594 ' ' VAL . 91.6 mtt180 -96.96 176.12 6.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 111.485 -179.857 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -116.83 150.08 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -142.94 144.91 32.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.495 -179.742 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1600 ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' 1627 ' ' ILE . 50.1 tp -93.65 120.98 34.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.208 179.3 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1601 ' ' ILE . . . . . 0.511 HD13 HG22 ' A' 1545 ' ' VAL . 3.1 mp -117.21 129.47 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 112.053 -179.164 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1602 ' ' MET . . . . . 0.45 ' SD ' ' HB1' ' A' 1542 ' ' ALA . 31.6 mtm -141.62 111.1 6.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.481 178.841 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.751 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -159.71 -177.32 32.7 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 119.995 -1.098 . . . . 0.0 113.651 -178.951 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1604 ' ' LYS . . . . . 0.522 ' HG3' ' N ' ' A' 1605 ' ' GLU . 16.7 tppt? -62.07 163.52 7.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.688 0.28 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1605 ' ' GLU . . . . . 0.522 ' N ' ' HG3' ' A' 1604 ' ' LYS . 32.9 tt0 -48.02 150.77 1.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.248 179.9 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -68.27 177.33 2.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1607 ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' 1607 ' ' LEU . 7.1 mp -78.97 176.61 9.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.733 179.873 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1608 ' ' GLN . . . . . 0.663 ' HG2' ' HE1' ' A' 1617 ' ' TYR . 46.6 mt-30 -151.42 96.06 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.317 -179.721 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1609 ' ' ILE . . . . . 0.438 ' HB ' ' HB3' ' A' 1616 ' ' ARG . 1.7 mm -100.15 -10.96 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.461 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1610 ' ' LYS . . . . . 0.873 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 20.8 ptmt 34.87 77.14 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.729 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 78.9 t80 -84.04 112.84 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.609 179.827 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1612 ' ' ASN . . . . . 0.43 ' HB3' ' H ' ' A' 1613 ' ' ALA . 4.2 m-20 59.75 -156.25 0.34 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 -179.761 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1613 ' ' ALA . . . . . 0.43 ' H ' ' HB3' ' A' 1612 ' ' ASN . . . -56.4 -18.54 11.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.835 0.35 . . . . 0.0 111.256 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 37.3 t -99.44 176.01 5.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1615 ' ' PHE . . . . . 0.873 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 76.8 m-85 -120.57 142.8 49.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1616 ' ' ARG . . . . . 0.438 ' HB3' ' HB ' ' A' 1609 ' ' ILE . 79.3 ttt180 -104.75 104.89 14.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1617 ' ' TYR . . . . . 0.663 ' HE1' ' HG2' ' A' 1608 ' ' GLN . 29.6 m-85 -107.62 126.31 52.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1618 ' ' ILE . . . . . 0.812 HD12 HD13 ' A' 1583 ' ' ILE . 25.0 pt -139.26 156.01 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.701 179.516 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -112.82 132.67 22.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.289 -179.297 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.86 176.95 8.75 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.63 2.22 . . . . 0.0 112.254 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1621 ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' 1582 ' ' PHE . 98.3 mt -145.2 23.31 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.35 -167.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.272 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.8 p -61.84 -44.33 97.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.247 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1624 ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' 1624 ' ' LEU . 3.0 tm? -56.53 -31.19 63.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 37.9 m -62.16 116.52 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.283 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -85.98 112.92 21.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1627 ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.3 mt -126.63 130.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -138.53 114.59 10.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1629 ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 66.2 t80 -53.14 132.2 37.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.195 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1630 ' ' TRP . . . . . 0.422 ' CE2' HD13 ' A' 1646 ' ' LEU . 4.5 t-105 -99.39 105.62 34.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.229 179.488 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1631 ' ' PRO . . . . . 0.82 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 72.0 Cg_exo -48.41 105.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.56 2.174 . . . . 0.0 112.546 -179.75 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1632 ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' 1632 ' ' ARG . 6.8 tpm_? -68.79 -36.07 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -75.54 140.11 42.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1634 ' ' THR . . . . . 0.702 HG22 ' HG ' ' A' 1643 ' ' LEU . 65.6 p -150.63 84.22 1.36 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.411 HG23 ' OE1' ' A' 1640 ' ' GLN . 40.5 p -55.59 -22.94 24.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.312 179.88 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 75.6 m -86.19 -176.9 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 80.8 p -106.79 8.75 31.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -179.898 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 53.2 m -150.9 -50.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1639 ' ' CYS . . . . . 0.412 ' HA ' ' HB3' ' A' 1643 ' ' LEU . 30.1 p -153.01 126.58 8.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 -179.902 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1640 ' ' GLN . . . . . 0.847 ' HB3' HD23 ' A' 1643 ' ' LEU . 7.8 tt0 -86.08 -98.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.388 -179.681 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -98.43 -86.98 0.35 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.808 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1642 ' ' PHE . . . . . 0.82 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 32.0 t80 -65.18 -16.48 63.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.394 0.616 . . . . 0.0 109.488 179.117 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1643 ' ' LEU . . . . . 0.847 HD23 ' HB3' ' A' 1640 ' ' GLN . 2.8 mm? -62.63 -28.75 70.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -66.47 -25.25 66.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.635 179.516 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -87.49 -30.19 20.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.436 179.705 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1646 ' ' LEU . . . . . 0.593 HD12 HD13 ' A' 1643 ' ' LEU . 76.3 mt -75.47 -26.69 58.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.64 -29.49 67.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -82.96 2.16 36.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.796 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1649 ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' 1653 ' ' ILE . 89.3 t80 -112.14 -43.75 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.852 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -61.17 -16.33 43.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -179.769 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -114.1 -3.16 13.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.137 -179.534 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1652 ' ' ASP . . . . . 0.541 ' O ' ' HB2' ' A' 1656 ' ' ASN . 19.0 t70 -102.24 -20.91 14.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.251 -179.891 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1653 ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' 1649 ' ' PHE . 9.7 tp -107.09 -25.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 47.4 t80 -85.27 -48.88 8.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1655 ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' 1655 ' ' LEU . 5.4 tt -72.44 -45.07 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.637 -179.378 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1656 ' ' ASN . . . . . 0.541 ' HB2' ' O ' ' A' 1652 ' ' ASP . 3.0 m-20 -80.27 -75.62 0.26 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.193 -179.538 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 130.33 -56.46 0.74 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A 1658 ' ' CYS . . . . . 0.403 ' OXT' ' HE2' ' A' 1531 ' ' LYS . 43.7 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.511 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 9.5 m-20 . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 111.347 0.128 . . . . 0.0 111.347 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' 1516 ' ' GLN . 12.4 p 39.88 -145.33 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' 1591 ' ' ALA . . . -63.86 77.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.447 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' 1514 ' ' CYS . 20.6 pt20 -42.48 137.14 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.283 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 25.7 mmt -113.46 172.01 7.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.014 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -117.55 173.53 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.825 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.49 154.37 36.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.99 -41.85 25.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.85 111.03 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 10.7 t70 -154.86 121.78 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.755 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.513 HD21 ' HB1' ' A' 1641 ' ' ALA . 93.4 mt -77.02 99.69 5.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . 0.488 HG23 HG13 ' A' 1525 ' ' ILE . 8.9 t -175.39 -28.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.529 ' HB ' ' HE1' ' A' 1642 ' ' PHE . 60.4 mt -89.83 108.41 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.1 m -85.62 178.05 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.03 68.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.55 -23.34 56.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 49.6 m -66.87 -28.36 68.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.98 0.419 . . . . 0.0 110.759 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.551 HH21 ' HG ' ' A' 1600 ' ' LEU . 46.0 mtp180 -95.7 12.47 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.693 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.818 ' HE2' HD13 ' A' 1653 ' ' ILE . 3.6 tppp? -119.72 -52.44 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.311 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -54.96 -20.75 9.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.459 . . . . 0.0 110.204 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.617 ' O ' HG13 ' A' 1539 ' ' ILE . 35.3 m -104.72 -19.96 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.517 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' 1530 ' ' ARG . . . -70.19 -54.61 12.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . 0.423 ' HA ' ' HE2' ' A' 1568 ' ' LYS . 4.5 t -71.7 -2.17 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.731 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 39.6 ttpt -58.64 138.77 86.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.84 -40.09 81.74 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.73 2.287 . . . . 0.0 112.813 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.731 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 0.4 OUTLIER -59.36 -19.55 47.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 110.607 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' 1533 ' ' THR . 17.9 mm -102.18 120.55 52.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.206 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -93.29 -30.37 15.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.742 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.597 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.6 p90 -139.43 158.62 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.144 0.497 . . . . 0.0 111.864 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.461 ' HB1' ' SD ' ' A' 1602 ' ' MET . . . -149.53 89.33 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.253 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.698 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 16.5 p90 -138.81 164.16 30.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.625 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.563 ' NZ ' ' HB3' ' A' 1544 ' ' LYS . 0.0 OUTLIER -111.31 130.73 55.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.149 179.546 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.2 m -125.67 -178.92 2.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.661 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 16.4 t -142.07 140.73 32.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.73 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' 1561 ' ' ALA . 45.2 mm -78.33 137.38 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . 0.451 ' O ' ' HE3' ' A' 1595 ' ' LYS . 5.2 t -134.51 -17.0 2.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.277 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.765 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 57.8 m -156.71 146.14 20.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 60.8 mt -135.81 138.01 48.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . 0.55 ' O ' ' HB ' ' A' 1557 ' ' VAL . 64.0 m -115.69 136.67 52.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.894 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 41.0 t -134.2 125.2 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' 1556 ' ' PHE . 43.9 mt-10 -116.24 -161.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . 0.587 HD22 ' N ' ' A' 1554 ' ' ASN . 0.8 OUTLIER -53.98 -53.1 57.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.195 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' 1556 ' ' PHE . 6.9 m -132.67 -51.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.42 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.493 ' O ' ' HB2' ' A' 1553 ' ' GLU . 52.0 m-85 -82.21 131.46 35.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' A' 1551 ' ' THR . 8.0 m -125.98 160.78 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.677 ' HG2' HG22 ' A' 1583 ' ' ILE . 86.9 mttt -126.76 170.99 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.794 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' 1581 ' ' THR . 96.6 m-85 -140.7 112.92 7.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.765 ' HB2' ' HB2' ' A' 1549 ' ' SER . 75.8 mmtt -92.08 107.92 19.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.45 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.508 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.32 152.48 50.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.404 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -102.6 141.06 36.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.091 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.861 ' HA ' HG12 ' A' 1545 ' ' VAL . 7.3 tt -77.38 135.4 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.4 mp -92.92 -48.36 6.57 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.008 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.8 t70 -160.37 145.12 14.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.916 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.698 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 59.8 mt -108.7 126.05 65.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.942 0.401 . . . . 0.0 111.887 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' 1542 ' ' ALA . 77.9 m-85 -99.32 -25.0 14.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.43 ' HB2' ' N ' ' A' 1542 ' ' ALA . 28.9 mtpp -140.33 113.36 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.649 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 45.6 m -46.56 141.08 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.607 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.776 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.58 131.36 10.56 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.646 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.692 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 41.8 mt-10 -60.68 -26.73 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.416 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.578 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -90.54 67.23 6.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.511 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' 1573 ' ' VAL . 7.2 p 38.19 80.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.058 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.776 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.46 128.73 56.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.496 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.413 ' CG ' ' HB3' ' A' 1578 ' ' SER . 12.5 pt-20 -143.4 160.14 41.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.972 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 24.1 tptm -53.66 110.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.685 ' HA ' ' O ' ' A' 1563 ' ' LEU . 14.5 t70 61.08 80.98 0.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.113 0.482 . . . . 0.0 110.789 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.555 ' H ' ' HB3' ' A' 1563 ' ' LEU . 49.8 p -114.84 -166.68 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.11 102.2 8.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.494 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.726 HD12 ' HE1' ' A' 1582 ' ' PHE . 24.2 pt -108.84 148.4 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.362 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' 1559 ' ' TYR . 59.9 m -136.39 118.37 15.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.726 ' HE1' HD12 ' A' 1580 ' ' ILE . 59.8 m-85 -99.69 128.35 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.677 HG22 ' HG2' ' A' 1558 ' ' LYS . 16.1 pt -121.52 149.8 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.54 ' HB3' HD23 ' A' 1621 ' ' LEU . 0.0 OUTLIER -170.08 177.61 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 179.268 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' 1584 ' ' LYS . 95.1 mttt -89.17 158.14 18.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.008 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.5 p -75.17 -3.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.002 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.5 p -73.64 0.62 12.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.323 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.647 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 42.7 t -76.34 112.07 12.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . 0.4 ' O ' HG22 ' A' 1589 ' ' THR . 5.0 m -115.24 34.04 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.511 ' OD1' ' HA ' ' A' 1513 ' ' ASP . 15.2 m120 -145.11 -11.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.473 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.647 ' HB3' ' SG ' ' A' 1588 ' ' CYS . . . -127.61 130.22 48.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.347 . . . . 0.0 111.496 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -147.73 103.91 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.67 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.7 mt -82.43 151.44 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 46.3 t -116.13 141.16 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.451 ' HE3' ' O ' ' A' 1548 ' ' THR . 87.3 tttt -79.48 106.35 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 124.75 -17.07 7.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.724 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -92.31 175.03 7.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.028 0.442 . . . . 0.0 111.308 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -116.27 148.64 40.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.628 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -142.36 140.59 32.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 111.378 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.645 HD11 ' HG3' ' A' 1602 ' ' MET . 3.2 tm? -91.72 142.18 27.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.878 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.564 ' H ' HD22 ' A' 1600 ' ' LEU . 87.1 mt -138.6 130.11 36.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.645 ' HG3' HD11 ' A' 1600 ' ' LEU . 17.5 mtm -144.06 104.58 4.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.7 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.579 ' N ' HG23 ' A' 1539 ' ' ILE . . . -167.62 179.59 40.95 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.335 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.6 tppp? -59.41 162.8 4.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.692 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 13.0 pt-20 -62.28 179.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.578 ' H ' ' HB2' ' A' 1572 ' ' ALA . . . -106.7 158.83 16.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.203 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' 1607 ' ' LEU . 3.8 pp -65.03 147.71 52.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.425 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.537 HE21 ' HE2' ' A' 1617 ' ' TYR . 94.9 mt-30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.175 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.537 ' HE2' HE21 ' A' 1608 ' ' GLN . 76.1 m-85 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.773 0.321 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' 1618 ' ' ILE . 0.1 OUTLIER 32.74 94.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.188 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.494 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 59.6 m-85 -49.33 139.63 13.87 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.48 -19.18 17.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.452 2.101 . . . . 0.0 112.38 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' 1584 ' ' LYS . 51.5 tp 54.96 92.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.979 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -121.94 -174.86 2.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 56.9 p -73.78 -28.2 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.478 HD12 ' C ' ' A' 1624 ' ' LEU . 3.8 pp -62.16 -33.09 73.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.36 . . . . 0.0 110.645 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.5 ' O ' HG13 ' A' 1627 ' ' ILE . 47.4 m -59.35 93.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.192 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' A' 1601 ' ' ILE . 63.7 t-105 -59.18 103.85 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.759 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.552 ' HA ' ' O ' ' A' 1600 ' ' LEU . 72.9 mt -119.17 132.52 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.21 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -139.38 117.43 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 20.5 t80 -56.44 121.89 10.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.448 ' CH2' ' HB3' ' A' 1646 ' ' LEU . 2.1 t-105 -99.6 107.43 45.63 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.239 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.484 ' HB2' HD11 ' A' 1643 ' ' LEU . 89.2 Cg_exo -46.8 104.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.502 2.135 . . . . 0.0 112.415 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -53.49 -31.81 47.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -110.1 154.67 22.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.696 HG22 HD13 ' A' 1643 ' ' LEU . 81.8 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.904 0.383 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . 0.513 ' HB1' HD21 ' A' 1523 ' ' LEU . . . -143.63 -48.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.899 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.529 ' HE1' ' HB ' ' A' 1525 ' ' ILE . 68.6 t80 -72.05 -18.3 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.517 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.696 HD13 HG22 ' A' 1634 ' ' THR . 86.3 mt -83.86 4.21 30.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -89.67 -35.98 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.049 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -82.83 -24.53 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.525 HD12 HD23 ' A' 1643 ' ' LEU . 86.9 mt -71.47 -33.09 69.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.75 -31.25 71.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -70.85 -39.86 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.579 ' HE1' ' HE3' ' A' 1531 ' ' LYS . 90.9 t80 -69.88 -27.15 64.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -54.89 -54.92 36.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.419 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -86.64 -4.01 59.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.688 ' HA ' HD22 ' A' 1656 ' ' ASN . 23.6 t70 -78.62 -68.94 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.957 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.818 HD13 ' HE2' ' A' 1531 ' ' LYS . 4.8 tp -56.61 -32.52 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.938 0.399 . . . . 0.0 110.974 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.89 -49.75 64.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -91.92 -71.54 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.991 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.688 HD22 ' HA ' ' A' 1652 ' ' ASP . 25.2 m-80 -54.27 -74.76 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.599 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 70.88 157.52 2.37 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.232 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.157 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.684 0.278 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.512 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 16.0 t 51.23 95.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.65 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 74.69 43.96 27.31 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.676 -0.774 . . . . 0.0 111.741 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.7 135.23 19.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.908 0.385 . . . . 0.0 111.199 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' 1515 ' ' GLY . 85.7 mtp -129.1 167.23 17.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -91.14 169.72 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.16 172.16 6.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -110.1 113.75 26.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 84.1 mt 59.49 97.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.484 ' O ' HG22 ' A' 1524 ' ' THR . 8.4 t70 -160.73 89.16 0.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.586 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.889 ' H ' HD22 ' A' 1523 ' ' LEU . 0.5 OUTLIER -56.36 101.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . 0.484 HG22 ' O ' ' A' 1522 ' ' ASP . 10.5 t -173.44 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 9.8 mm -60.5 150.74 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . 0.475 ' HB2' ' OG1' ' A' 1529 ' ' THR . 54.6 m -118.52 140.04 50.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.0 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' 1532 ' ' GLN . 15.2 mm-40 -84.36 -35.5 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' 1526 ' ' SER . 78.7 m -57.98 -34.57 70.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.611 HH12 HD23 ' A' 1646 ' ' LEU . 67.7 mtt180 -76.25 -34.22 59.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.737 ' HE2' HD13 ' A' 1653 ' ' ILE . 2.8 tppp? -72.78 -29.21 63.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.166 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.3 mm-40 -61.81 -16.47 50.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.982 0.42 . . . . 0.0 110.362 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.825 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 28.7 m -116.85 -19.29 9.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.617 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' 1531 ' ' LYS . . . -78.81 -25.07 44.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.203 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.8 t -85.43 -14.62 45.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.825 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.8 mtmt -79.28 149.61 72.81 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.9 -11.51 15.35 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.727 2.285 . . . . 0.0 112.418 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.435 ' C ' HD12 ' A' 1539 ' ' ILE . 40.2 tt0 -61.1 -34.43 74.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.769 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.939 HG21 ' HG2' ' A' 1602 ' ' MET . 2.6 mp -112.76 130.15 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.11 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.826 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -95.13 -58.45 2.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.27 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.573 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.2 p90 -105.53 157.28 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.276 0.56 . . . . 0.0 111.922 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.53 94.88 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.214 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.785 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 24.1 p90 -144.99 165.86 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.165 0.507 . . . . 0.0 111.873 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.505 ' HD2' HD12 ' A' 1564 ' ' LEU . 18.4 ttmt -105.19 141.27 37.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.914 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.776 HG11 HD11 ' A' 1580 ' ' ILE . 17.9 m -131.14 179.79 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.998 0.427 . . . . 0.0 111.631 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' 1564 ' ' LEU . 59.9 p -140.06 115.74 10.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.038 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.733 HD13 ' HB2' ' A' 1561 ' ' ALA . 45.9 mm -59.25 139.01 19.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.596 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 76.9 p -138.76 2.13 2.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.89 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 47.4 t -173.18 160.46 4.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.992 0.425 . . . . 0.0 111.572 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.411 HG23 ' CD1' ' A' 1559 ' ' TYR . 81.1 mt -140.3 111.63 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.622 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 56.5 m -114.23 139.57 49.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.248 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.5 p -140.84 135.83 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -100.1 -75.92 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -145.11 -51.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 88.6 t -124.26 -54.39 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.68 100.87 8.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' 1584 ' ' LYS . 13.7 p -81.35 148.04 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.717 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -134.99 112.4 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.433 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 70.5 m-85 -94.27 138.63 32.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.964 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.89 ' HB3' ' HB3' ' A' 1549 ' ' SER . 4.7 tppp? -99.28 128.34 45.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -145.7 138.37 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 111.6 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.3 m -91.71 125.19 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.831 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.773 ' HA ' HG12 ' A' 1545 ' ' VAL . 7.4 tt -59.86 130.27 45.94 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' 1546 ' ' SER . 78.1 mt -88.37 -46.56 9.07 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.196 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.477 ' N ' HD23 ' A' 1563 ' ' LEU . 14.5 t70 -169.43 139.97 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.913 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.785 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 61.2 mt -97.27 121.92 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.762 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.499 ' OH ' ' HE3' ' A' 1544 ' ' LYS . 11.3 m-85 -96.61 -17.38 20.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.331 0.586 . . . . 0.0 109.464 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.495 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 63.0 tttp -150.05 102.13 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.714 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . 0.419 ' HA ' HG21 ' A' 1566 ' ' ILE . 24.3 m -41.68 135.55 2.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.068 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.668 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -84.4 139.75 18.41 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.661 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.826 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 29.6 mt-10 -52.42 -22.34 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.122 0.487 . . . . 0.0 110.058 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -86.44 -157.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.671 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' 1573 ' ' VAL . 12.4 p -84.15 42.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.254 0.549 . . . . 0.0 111.006 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.668 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -61.77 130.01 43.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' 1563 ' ' LEU . 39.1 tt0 -145.9 145.58 30.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.736 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.451 ' HA ' HD22 ' A' 1563 ' ' LEU . 39.9 ttpt -58.42 126.12 26.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.546 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.713 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.2 t70 64.53 38.49 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.458 ' H ' ' HB3' ' A' 1563 ' ' LEU . 29.7 t -87.79 -178.86 6.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . 0.402 ' N ' ' OG ' ' A' 1578 ' ' SER . 41.2 tt0 -107.63 121.51 44.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.512 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.776 HD11 HG11 ' A' 1545 ' ' VAL . 14.6 pt -136.57 149.93 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 111.732 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 53.5 m -128.17 112.74 14.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.547 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' 1619 ' ' TYR . 17.9 m-85 -81.22 104.56 11.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.273 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.657 HG23 ' HA ' ' A' 1620 ' ' PRO . 8.2 tt -88.49 123.4 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.716 ' HD3' HD23 ' A' 1621 ' ' LEU . 35.8 ttpt -129.44 168.06 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.775 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.67 ' HB3' HG22 ' A' 1587 ' ' THR . 3.5 mptp? -99.39 136.77 38.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.397 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 35.9 m -77.97 8.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.398 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . 0.67 HG22 ' HB3' ' A' 1585 ' ' LYS . 6.6 t -93.18 -5.58 49.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.363 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.512 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 83.1 m -65.22 174.87 1.86 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . 0.456 HG22 ' O ' ' A' 1589 ' ' THR . 6.0 m -148.51 11.34 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -135.07 -19.61 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.331 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -87.02 126.4 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.362 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -139.72 137.53 35.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.792 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.468 ' HB3' HH22 ' A' 1597 ' ' ARG . 98.9 mt -135.66 135.55 40.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.073 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 1.6 p -132.42 100.81 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.408 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 53.5 tttp -45.97 108.78 0.14 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.225 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 153.32 21.45 0.05 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.081 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.535 ' N ' ' HD3' ' A' 1597 ' ' ARG . 0.3 OUTLIER -160.51 -178.57 6.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 111.113 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -107.1 158.58 16.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.514 ' HE2' ' HE ' ' A' 1597 ' ' ARG . 2.3 m-85 -142.96 161.4 38.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 111.595 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.903 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 3.3 tm? -117.1 129.05 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.772 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.623 HD13 HG22 ' A' 1545 ' ' VAL . 2.4 mp -118.02 132.59 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.997 0.427 . . . . 0.0 111.514 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.939 ' HG2' HG21 ' A' 1539 ' ' ILE . 24.8 ttp -150.14 110.65 4.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.108 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.862 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -174.65 -173.12 40.3 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 119.74 -1.219 . . . . 0.0 113.642 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.505 ' H ' HD11 ' A' 1624 ' ' LEU . 23.7 tptp -50.37 161.47 0.3 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.858 0.361 . . . . 0.0 111.372 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.1 pt-20 -59.95 178.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.464 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.512 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -77.78 -170.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.25 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' 1617 ' ' TYR . 94.6 mt -123.14 -168.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.996 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 20.5 pt20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.151 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' 1607 ' ' LEU . 3.4 m-85 . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.523 0.201 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.476 HD12 HG21 ' A' 1583 ' ' ILE . 20.6 pt -54.83 155.61 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' 1582 ' ' PHE . 7.7 m-85 -110.54 113.64 55.67 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.013 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . 0.657 ' HA ' HG23 ' A' 1583 ' ' ILE . 32.6 Cg_endo -63.51 176.38 2.22 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.492 2.128 . . . . 0.0 112.179 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.716 HD23 ' HD3' ' A' 1584 ' ' LYS . 48.7 tp -143.71 106.71 4.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -142.52 -163.57 1.64 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 45.5 t -67.87 -41.4 82.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.435 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.505 HD11 ' H ' ' A' 1604 ' ' LYS . 0.1 OUTLIER -56.78 -33.14 66.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.806 0.336 . . . . 0.0 110.686 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 85.7 m -75.74 103.36 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.543 ' HB3' ' HB3' ' A' 1602 ' ' MET . 47.6 t-105 -59.9 119.99 8.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.4 mm -115.37 115.42 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.731 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.903 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 11.0 tp10 -121.6 110.49 16.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.247 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.495 ' CE2' ' HG3' ' A' 1597 ' ' ARG . 13.4 t80 -60.4 124.41 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.427 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.442 ' CH2' ' HB3' ' A' 1646 ' ' LEU . 7.3 t-105 -101.02 108.84 56.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.7 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.696 ' HB2' HD21 ' A' 1643 ' ' LEU . 46.5 Cg_exo -56.28 127.8 27.52 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.562 2.174 . . . . 0.0 112.33 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -94.77 -23.36 17.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.774 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 3.5 p30 -86.16 129.61 34.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.009 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.442 ' HA ' ' HB3' ' A' 1640 ' ' GLN . 68.7 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.921 ' HA ' HD23 ' A' 1643 ' ' LEU . 20.4 pt20 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.936 0.398 . . . . 0.0 111.587 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -101.44 -23.3 14.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.495 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 56.2 t80 -92.81 -20.23 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.029 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.921 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -73.48 -12.61 60.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -82.27 -23.06 35.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -92.05 -10.78 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.745 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.611 HD23 HH12 ' A' 1530 ' ' ARG . 85.8 mt -93.52 -24.45 17.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.06 -25.05 61.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' 1652 ' ' ASP . 40.2 tt0 -76.18 -35.3 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' 1653 ' ' ILE . 88.8 t80 -85.72 -22.79 27.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.7 89.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.97 -33.0 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.749 ' HA ' HD21 ' A' 1656 ' ' ASN . 15.4 t70 -50.99 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.414 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.737 HD13 ' HE2' ' A' 1531 ' ' LYS . 7.0 tp -57.34 -32.11 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.374 . . . . 0.0 111.329 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . 0.549 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 16.2 t80 -68.82 -30.86 69.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.436 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.549 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 93.8 mt -101.98 -75.05 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.44 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.749 HD21 ' HA ' ' A' 1652 ' ' ASP . 1.7 p30 -77.66 -59.61 2.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.525 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.707 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 68.26 105.35 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.546 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . 0.592 ' H ' ' HZ3' ' A' 1531 ' ' LYS . 34.7 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.154 -0.927 . . . . 0.0 111.223 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.724 0.297 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.524 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 50.4 t 58.98 104.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.76 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 97.26 -60.24 1.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.919 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 54.97 97.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.763 0.316 . . . . 0.0 111.389 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.593 ' HE2' HG21 ' A' 1627 ' ' ILE . 62.0 mtt -102.17 156.08 17.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' 1628 ' ' GLU . 11.5 pt20 -86.09 -175.29 5.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.482 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 47.1 mt-10 -69.82 -170.36 0.32 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.16 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -133.08 130.58 39.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.344 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 30.6 mt 59.74 17.14 6.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.698 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.679 ' HB3' HG22 ' A' 1524 ' ' THR . 1.6 m-20 -84.84 108.15 17.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.696 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.544 HD23 ' HD1' ' A' 1642 ' ' PHE . 27.3 mt -75.33 5.24 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.967 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . 0.679 HG22 ' HB3' ' A' 1522 ' ' ASP . 6.7 t -60.71 -24.52 65.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.201 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 69.1 mt -89.87 130.87 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 46.2 t -91.05 167.37 12.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -70.75 -20.94 62.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.4 mt-10 -90.4 -40.09 12.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 59.9 m -58.88 -37.39 76.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.502 HH12 HD23 ' A' 1646 ' ' LEU . 42.1 ttm180 -72.41 -34.5 67.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.736 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.727 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 23.2 tptm -67.35 -27.21 66.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.1 mm-40 -57.43 -20.68 31.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.057 0.456 . . . . 0.0 110.463 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.691 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 89.7 m -90.71 -30.31 17.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.817 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.727 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -72.77 1.53 8.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.527 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . 0.442 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 19.2 t -123.79 7.61 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.691 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.7 mtmt -86.81 147.53 43.6 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.051 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.96 -30.01 89.09 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.699 2.266 . . . . 0.0 112.186 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' 1538 ' ' GLU . 0.3 OUTLIER -72.06 -12.27 61.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.521 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' 1603 ' ' GLY . 14.7 mm -115.43 115.22 48.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.152 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.433 ' O ' ' HE3' ' A' 1568 ' ' LYS . . . -92.02 -54.32 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.499 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.503 ' HE1' HG22 ' A' 1601 ' ' ILE . 2.7 p90 -112.21 162.93 14.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.317 0.58 . . . . 0.0 112.066 -178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -153.05 98.71 2.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.725 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.646 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.7 OUTLIER -142.83 -179.27 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.282 0.563 . . . . 0.0 112.45 -178.568 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.536 ' HG2' HD12 ' A' 1564 ' ' LEU . 30.2 ttpt -113.31 125.75 54.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.444 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.723 HG11 HD11 ' A' 1580 ' ' ILE . 19.2 m -118.15 -178.93 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.911 0.386 . . . . 0.0 111.656 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.515 ' HB3' HD11 ' A' 1564 ' ' LEU . 81.8 p -149.71 113.64 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.865 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.848 HD13 ' HB2' ' A' 1561 ' ' ALA . 48.5 mm -55.64 119.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.905 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 3.6 t -115.92 -20.42 9.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.466 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.577 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 39.5 t -147.28 153.55 39.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.009 0.433 . . . . 0.0 111.253 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' 1595 ' ' LYS . 83.9 mt -146.52 140.27 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . 0.693 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 78.3 m -141.76 127.48 19.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.002 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.601 ' HA ' HG13 ' A' 1557 ' ' VAL . 93.3 t -108.18 126.33 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' 1556 ' ' PHE . 13.4 mm-40 -106.46 -166.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.33 -72.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 97.0 t -97.76 -44.99 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.401 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' 1553 ' ' GLU . 80.4 m-85 -91.26 169.13 11.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.601 HG13 ' HA ' ' A' 1552 ' ' VAL . 21.3 t -137.53 122.74 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.693 ' HB2' ' HB ' ' A' 1551 ' ' THR . 72.4 mmtt -85.65 148.32 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.222 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.461 ' CE2' ' HE3' ' A' 1584 ' ' LYS . 67.1 m-85 -145.24 142.75 29.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.577 ' HB2' ' HB3' ' A' 1549 ' ' SER . 59.5 mttp -137.48 128.44 27.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.526 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.848 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -137.35 142.41 41.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.66 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.0 m -84.51 124.39 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.993 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' 1543 ' ' TYR . 9.1 tp -66.78 97.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.55 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.536 ' H ' ' HA ' ' A' 1545 ' ' VAL . 93.7 mt -54.09 -48.34 70.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.455 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.569 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.9 t70 -166.44 162.05 16.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.542 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.646 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 45.8 mt -109.92 136.65 45.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.019 0.437 . . . . 0.0 111.94 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.433 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 21.7 m-85 -112.88 -17.01 12.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.2 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.65 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.6 tttp -154.31 112.18 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.696 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 58.0 m -45.71 147.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.076 0.465 . . . . 0.0 112.029 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.78 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -104.73 133.85 11.74 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.326 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.53 -27.74 66.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.819 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.16 42.2 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 86.4 t 55.58 90.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.198 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.78 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -110.08 137.75 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.708 ' HG2' ' HB2' ' A' 1578 ' ' SER . 0.8 OUTLIER -144.66 146.58 32.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.496 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.476 ' HG3' ' HA ' ' A' 1565 ' ' ASP . 29.1 ttpp -54.75 148.29 13.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.554 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.9 p30 47.08 40.6 9.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.524 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.708 ' HB2' ' HG2' ' A' 1575 ' ' GLU . 24.8 t -83.4 -166.63 1.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.703 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -131.14 111.38 11.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.508 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.723 HD11 HG11 ' A' 1545 ' ' VAL . 6.3 pt -122.68 144.5 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.999 0.428 . . . . 0.0 111.574 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . 0.456 HG23 ' O ' ' A' 1559 ' ' TYR . 86.4 m -123.1 123.93 41.95 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.357 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.511 ' HE1' HD12 ' A' 1580 ' ' ILE . 69.2 m-85 -112.63 146.77 38.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.572 HG22 ' HA ' ' A' 1558 ' ' LYS . 29.5 pt -139.73 150.49 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 111.145 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.736 ' HB3' HD23 ' A' 1621 ' ' LEU . 22.1 pttp -145.52 -173.95 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -98.56 -176.42 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.813 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.0 p -88.26 -25.4 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 73.9 p -70.32 -22.82 62.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.326 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.524 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.3 m -59.31 104.64 0.27 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.01 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 57.5 m -102.13 -31.7 10.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.585 HD22 ' N ' ' A' 1590 ' ' ASN . 0.8 OUTLIER -74.95 -19.52 60.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.76 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -108.66 109.37 20.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -142.58 108.06 5.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.729 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.0 mt -83.52 164.73 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.019 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.41 HG21 ' NH1' ' A' 1597 ' ' ARG . 85.7 t -132.46 133.18 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.627 ' HB2' HD12 ' A' 1550 ' ' ILE . 41.0 ttmt -62.74 136.4 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 61.1 68.68 1.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.518 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 39.6 ttm180 -162.59 152.55 16.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.582 ' HB2' ' HB3' ' A' 1630 ' ' TRP . 49.9 mt-30 -91.6 134.5 34.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.305 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.518 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 76.2 m-85 -138.5 144.93 40.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.055 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.76 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 59.8 tp -95.85 118.96 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.347 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.503 HG22 ' HE1' ' A' 1541 ' ' TYR . 80.1 mt -111.88 123.21 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.101 0.477 . . . . 0.0 111.783 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.722 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 79.8 mtp -137.04 107.58 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.105 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' 1539 ' ' ILE . . . -170.15 178.4 42.96 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.159 -1.019 . . . . 0.0 113.265 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.564 ' C ' ' HD3' ' A' 1604 ' ' LYS . 0.0 OUTLIER -58.96 166.26 2.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.568 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.819 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.3 pt-20 -66.0 -168.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.363 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.401 ' H ' ' HB2' ' A' 1572 ' ' ALA . . . -82.91 -171.31 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 22.5 tp -131.66 20.2 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.975 0.417 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.19 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.752 0.31 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 34.8 pt -57.68 139.13 17.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.712 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -97.2 136.21 21.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.142 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.95 -14.52 44.01 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.6 2.2 . . . . 0.0 112.498 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.736 HD23 ' HB3' ' A' 1584 ' ' LYS . 60.9 tp 51.08 89.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.478 ' HB2' ' HG ' ' A' 1624 ' ' LEU . 9.8 m-20 -117.62 -172.77 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' 1515 ' ' GLY . 78.3 p -66.0 -15.43 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' A' 1622 ' ' ASP . 1.4 pp -80.08 -4.09 51.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.4 m -88.67 105.72 17.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.722 ' HB3' ' HB2' ' A' 1602 ' ' MET . 45.4 t-105 -68.64 103.05 1.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.739 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.633 HD11 HD11 ' A' 1621 ' ' LEU . 66.9 mt -110.39 122.28 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.76 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 42.0 tt0 -122.64 147.82 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.54 ' O ' ' HD3' ' A' 1631 ' ' PRO . 20.0 t80 -84.35 124.7 31.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.453 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.582 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 5.0 t-105 -105.36 95.9 10.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.55 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.766 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.6 Cg_exo -55.66 113.81 1.59 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.707 2.271 . . . . 0.0 112.462 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -73.08 -30.51 63.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.787 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.11 129.99 40.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 77.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.791 ' HA ' HD23 ' A' 1643 ' ' LEU . 28.8 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -56.1 -29.69 60.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.544 ' HD1' HD23 ' A' 1523 ' ' LEU . 68.7 t80 -75.78 -30.99 59.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.75 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -78.51 -6.35 55.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.72 -40.88 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.07 -1.27 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' 1643 ' ' LEU . 93.7 mt -95.14 -35.26 11.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.709 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.61 -34.82 78.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.69 -39.86 88.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.45 ' O ' HG22 ' A' 1653 ' ' ILE . 89.9 t80 -63.24 -28.61 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -56.1 -60.76 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -24.25 58.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 21.7 t70 -65.13 -6.77 9.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.269 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.461 HG13 ' HE3' ' A' 1531 ' ' LYS . 20.2 tt -133.03 -25.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.988 0.423 . . . . 0.0 110.899 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.02 -34.61 61.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.836 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' 1655 ' ' LEU . 4.8 tt -80.94 -48.82 11.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.933 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.539 ' H ' ' ND2' ' A' 1656 ' ' ASN . 0.7 OUTLIER -99.88 -68.06 0.82 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.721 -179.207 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.427 ' HA2' HG13 ' A' 1653 ' ' ILE . . . 71.55 100.97 0.06 OUTLIER Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.344 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 41.6 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.925 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.786 ' HA ' HD22 ' A' 1590 ' ' ASN . 4.6 p-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.614 0.245 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 29.0 t -50.4 107.63 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.9 0.381 . . . . 0.0 110.351 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.452 ' H ' ' HA ' ' A' 1623 ' ' SER . . . 80.97 40.9 11.02 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.744 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -41.64 103.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.32 -0.44 . . . . 0.0 111.229 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' 1515 ' ' GLY . 64.4 mtt -93.91 124.83 38.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.07 169.95 6.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -68.8 168.44 13.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.067 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -108.09 130.99 55.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 98.1 mt 55.72 87.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -148.17 102.56 3.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' 1642 ' ' PHE . 97.6 mt -70.69 97.42 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . 0.53 HG23 HG13 ' A' 1525 ' ' ILE . 6.8 t -167.44 -23.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.53 HG13 HG23 ' A' 1524 ' ' THR . 52.8 mt -97.79 105.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 83.0 p -63.6 164.48 9.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -70.86 -8.85 55.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.1 mt-10 -94.91 -31.37 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 69.2 m -62.52 -33.86 75.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' 1530 ' ' ARG . 61.0 mtt180 -83.61 -40.35 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . . . . . . . . . 63.9 tttm -59.57 -45.86 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' 1528 ' ' GLU . 79.9 mt-30 -58.14 -24.14 57.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.015 0.436 . . . . 0.0 110.186 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.79 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 60.5 m -86.24 -26.89 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.419 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.12 87.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.959 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 36.9 t -91.22 3.05 55.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.79 ' HE3' ' HA ' ' A' 1533 ' ' THR . 40.6 ttmt -58.26 140.92 83.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.758 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.51 -20.12 32.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.559 2.173 . . . . 0.0 112.227 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' A' 1536 ' ' LYS . 38.9 tt0 -85.11 -23.84 28.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.699 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.866 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -104.79 115.17 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.33 -47.18 18.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.865 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.7 p90 -125.46 155.77 39.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.158 0.504 . . . . 0.0 111.716 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.612 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -143.62 97.96 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.39 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.743 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.5 p90 -149.53 170.11 19.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.051 0.453 . . . . 0.0 111.798 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' 1564 ' ' LEU . 86.3 tttt -104.78 140.77 37.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.457 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.759 HG12 ' HA ' ' A' 1563 ' ' LEU . 24.3 m -137.05 -178.75 2.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.054 0.454 . . . . 0.0 111.628 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 21.0 t -149.28 127.19 11.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.622 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.26 139.72 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . 0.464 ' O ' ' HE2' ' A' 1595 ' ' LYS . 68.2 p -131.04 -25.77 2.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.598 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.744 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 38.2 t -150.22 156.24 41.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 0.0 111.332 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 79.9 mt -141.65 111.85 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . 0.854 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 93.1 m -92.04 123.49 35.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 5.2 p -102.11 132.98 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . 0.618 ' HG3' ' H ' ' A' 1554 ' ' ASN . 7.3 tp10 -124.38 177.61 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . 0.618 ' H ' ' HG3' ' A' 1553 ' ' GLU . 5.5 p30 -49.53 -45.61 47.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.358 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.439 HG23 ' OD1' ' A' 1554 ' ' ASN . 54.8 t -129.92 -53.05 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 111.19 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -72.35 162.05 30.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.3 t -138.61 106.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.854 ' HB2' ' HB ' ' A' 1551 ' ' THR . 11.5 mptt -79.23 149.16 31.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.596 ' HE2' ' HB3' ' A' 1584 ' ' LYS . 86.2 m-85 -131.1 114.48 15.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.02 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.744 ' HB2' ' HB3' ' A' 1549 ' ' SER . 14.1 mmmm -99.92 109.64 22.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.369 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -125.08 157.9 35.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.0 0.429 . . . . 0.0 111.449 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -105.99 134.32 49.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.018 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.759 ' HA ' HG12 ' A' 1545 ' ' VAL . 5.9 tt -66.11 143.05 57.55 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.572 ' N ' HD23 ' A' 1563 ' ' LEU . 7.5 mp -101.4 -48.65 4.29 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.646 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.483 ' N ' HD23 ' A' 1563 ' ' LEU . 15.5 t70 -166.54 134.11 2.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.512 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.743 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 69.1 mt -91.56 128.25 43.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.095 0.474 . . . . 0.0 112.108 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.706 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 69.8 m-85 -109.12 -15.17 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.187 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.612 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 28.4 tptp -153.47 120.13 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.69 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . 0.487 HG22 ' H ' ' A' 1571 ' ' GLU . 4.0 m -48.61 157.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.048 0.451 . . . . 0.0 111.829 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.865 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -99.79 3.83 57.55 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.867 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' 1570 ' ' GLY . 44.4 mt-10 74.5 -43.84 0.54 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.474 0.31 . . . . 0.0 110.969 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -87.4 46.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 0.0 110.23 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 81.5 t 59.51 85.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.059 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.577 ' HB1' HD13 ' A' 1566 ' ' ILE . . . -90.62 139.82 30.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.428 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' 1578 ' ' SER . 40.9 mt-10 -131.28 142.46 50.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.805 0.336 . . . . 0.0 111.384 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 60.6 mttp -58.4 139.51 55.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.089 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.744 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.7 p30 46.55 34.48 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.339 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 57.2 p -68.14 -166.99 0.07 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.739 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -115.29 109.2 17.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.588 ' HB ' ' HE2' ' A' 1619 ' ' TYR . 37.6 pt -110.03 139.97 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.618 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 76.7 m -132.47 113.8 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.978 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.752 ' HB3' ' HB2' ' A' 1619 ' ' TYR . 1.7 p90 -123.5 131.86 53.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.754 HG22 ' HG3' ' A' 1558 ' ' LYS . 32.1 pt -100.04 163.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.24 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.841 ' HB2' HD23 ' A' 1621 ' ' LEU . 39.8 ttpt -153.5 140.79 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -79.44 158.03 27.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.8 p -72.86 -11.56 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 81.7 p -69.48 -34.86 74.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.8 m -60.12 111.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.697 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 87.1 m -97.94 -42.78 7.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.48 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.786 HD22 ' HA ' ' A' 1513 ' ' ASP . 89.7 m-20 -70.07 -3.84 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.231 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -108.55 119.17 38.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.073 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -141.4 109.02 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 91.5 mt -97.23 149.02 22.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.673 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 59.8 t -123.53 139.98 48.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.3 tttm -79.93 115.45 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 112.85 -8.45 25.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.773 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.673 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 84.8 mtt180 -92.51 176.1 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 111.41 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -122.41 132.54 54.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -134.26 148.24 50.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.015 0.436 . . . . 0.0 111.364 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' 1543 ' ' TYR . 58.3 tp -97.77 123.9 41.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.019 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.563 HG22 ' HE1' ' A' 1541 ' ' TYR . 63.0 mt -112.67 125.31 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.132 0.492 . . . . 0.0 111.918 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.405 ' O ' ' HB3' ' A' 1626 ' ' TRP . 77.0 mtp -142.61 107.39 4.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.2 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.866 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.54 -168.12 37.36 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.14 -1.029 . . . . 0.0 113.42 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.471 ' HE2' ' HA ' ' A' 1538 ' ' GLU . 71.7 mmtt -50.56 162.03 0.28 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.905 0.383 . . . . 0.0 111.465 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.456 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 12.0 pt-20 -78.15 -172.75 2.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.024 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' 1619 ' ' TYR . . . -84.82 -172.21 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 91.1 mt -121.66 129.66 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.472 ' HG2' ' HE1' ' A' 1617 ' ' TYR . 42.0 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.472 ' HE1' ' HG2' ' A' 1608 ' ' GLN . 14.8 m-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.806 0.336 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 26.6 pt -124.33 130.67 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.752 ' HB2' ' HB3' ' A' 1582 ' ' PHE . 9.6 m-85 -79.06 133.43 61.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.014 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.41 -24.85 11.8 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.64 2.226 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.841 HD23 ' HB2' ' A' 1584 ' ' LYS . 48.9 tp 51.5 82.29 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.77 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 18.7 t70 -97.37 -78.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.452 ' HA ' ' H ' ' A' 1515 ' ' GLY . 80.7 p -162.88 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.408 ' H ' ' H ' ' A' 1623 ' ' SER . 1.7 pp -71.89 -27.82 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.627 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.493 ' O ' HG13 ' A' 1627 ' ' ILE . 61.6 m -57.73 99.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.405 ' HB3' ' O ' ' A' 1602 ' ' MET . 60.8 t-105 -60.93 108.24 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.829 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' 1625 ' ' THR . 71.4 mt -110.97 123.48 66.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -137.17 112.77 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.452 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 67.3 t80 -55.57 139.16 45.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.414 ' HA ' ' HD2' ' A' 1631 ' ' PRO . 5.2 t-105 -103.52 98.56 12.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.566 ' HG2' HD21 ' A' 1643 ' ' LEU . 11.3 Cg_endo -54.79 127.76 27.54 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.832 2.355 . . . . 0.0 112.334 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -111.8 17.34 19.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.223 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -113.81 143.68 44.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.079 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.714 HG22 ' HA ' ' A' 1640 ' ' GLN . 25.0 p . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.793 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.714 ' HA ' HG22 ' A' 1634 ' ' THR . 9.4 tt0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.13 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.411 ' HA ' HD21 ' A' 1523 ' ' LEU . 79.0 t80 -73.56 -36.43 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.566 HD21 ' HG2' ' A' 1631 ' ' PRO . 41.6 mt -70.44 -29.21 65.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -65.35 -23.86 67.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.588 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.05 -19.97 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.496 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.452 HD12 HD23 ' A' 1643 ' ' LEU . 98.5 mt -82.05 -29.97 31.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.57 -29.38 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.524 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.14 -18.9 65.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.574 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.534 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 64.7 t80 -101.2 -26.69 13.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.678 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -73.86 0.4 13.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.367 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -131.97 -24.77 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' 1656 ' ' ASN . 15.0 t70 -77.48 -30.06 52.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.061 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.588 HG21 ' HD2' ' A' 1567 ' ' TYR . 8.9 tp -67.95 -22.9 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.024 0.44 . . . . 0.0 110.691 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 20.9 t80 -100.76 -39.09 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' 1655 ' ' LEU . 0.6 OUTLIER -72.54 -52.01 17.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.362 -179.405 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.69 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -86.92 -67.3 0.83 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.056 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 79.82 164.48 29.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.94 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.798 0.333 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.741 ' HB2' ' HA ' ' A' 1622 ' ' ASP . 0.1 OUTLIER -94.26 89.55 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.765 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.4 ' N ' ' HA ' ' A' 1623 ' ' SER . . . 138.39 -53.51 0.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.33 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.426 ' HA ' ' ND2' ' A' 1590 ' ' ASN . 36.1 tt0 53.99 91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.776 0.322 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.47 ' H ' ' ND2' ' A' 1590 ' ' ASN . 78.6 mtp -62.45 136.33 57.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.776 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -81.35 167.38 19.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 45.9 mt-10 -62.45 159.25 15.9 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.56 -76.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.805 ' HG ' ' HB2' ' A' 1642 ' ' PHE . 4.9 mp -97.49 57.16 1.37 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.643 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 12.7 t70 -70.6 87.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.028 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' 1521 ' ' LEU . 6.0 mt -88.99 22.42 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.179 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 77.2 p -94.63 -22.26 18.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.251 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.467 HG13 ' OD1' ' A' 1522 ' ' ASP . 92.9 mt -84.7 137.17 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 54.7 m -82.81 -173.71 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.801 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -99.34 1.23 44.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -123.04 -2.9 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 67.8 m -82.38 -47.98 11.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.066 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -95.11 -8.28 36.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.411 ' HG3' ' HE1' ' A' 1649 ' ' PHE . 54.9 tttm -64.87 -40.28 94.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -59.18 -17.09 24.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.578 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.64 ' HA ' ' HB2' ' A' 1536 ' ' LYS . 59.7 m -82.39 -33.65 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.837 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -61.53 -23.18 65.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.0 t -121.99 5.42 9.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.76 ' HB3' HD13 ' A' 1539 ' ' ILE . 39.6 ttmt -59.32 140.84 87.91 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.669 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.42 -32.1 71.35 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.596 2.197 . . . . 0.0 112.311 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.525 ' O ' ' HE2' ' A' 1604 ' ' LYS . 36.9 tt0 -74.67 -22.6 58.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.904 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.1 mp -101.79 122.65 54.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.492 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -84.51 -55.69 4.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.431 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.515 ' HE1' HG22 ' A' 1601 ' ' ILE . 6.6 p90 -112.78 158.33 20.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.309 0.576 . . . . 0.0 112.07 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.97 96.82 2.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.493 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.653 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 0.3 OUTLIER -146.6 -175.16 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 112.355 -178.627 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.503 ' HG2' HD12 ' A' 1564 ' ' LEU . 31.9 ttpt -118.26 126.7 52.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.708 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.777 HG12 ' HA ' ' A' 1563 ' ' LEU . 22.4 m -121.43 -174.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.26 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.662 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.9 t -156.06 114.63 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.624 HD13 ' HB2' ' A' 1561 ' ' ALA . 40.5 mm -59.62 143.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 4.0 t -148.62 -7.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.479 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.844 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 57.4 m -154.11 134.15 13.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' 1595 ' ' LYS . 73.6 mt -132.38 136.51 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 62.8 m -148.3 130.12 15.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.737 HG23 HG22 ' A' 1557 ' ' VAL . 7.6 p -109.34 141.08 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -103.03 -74.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -144.82 -77.01 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 31.6 t -93.42 -49.64 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -94.57 141.8 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.605 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.737 HG22 HG23 ' A' 1552 ' ' VAL . 41.1 t -110.11 128.32 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.234 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.461 ' HE2' HD12 ' A' 1583 ' ' ILE . 35.2 mmtp -90.26 143.96 26.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.41 ' HD1' HG12 ' A' 1550 ' ' ILE . 90.3 m-85 -132.18 102.63 5.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.296 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.844 ' HB2' ' HB2' ' A' 1549 ' ' SER . 35.1 mmtp -79.29 116.73 19.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.233 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.624 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -129.15 167.14 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.087 0.47 . . . . 0.0 111.651 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 20.5 m -116.07 123.4 47.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.735 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.786 HD21 HG12 ' A' 1566 ' ' ILE . 13.0 tp -68.26 98.77 0.84 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.535 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' 1546 ' ' SER . 87.1 mt -54.67 -61.36 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.319 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' 1543 ' ' TYR . 7.4 m-20 -145.03 165.73 27.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.654 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.786 HG12 HD21 ' A' 1563 ' ' LEU . 55.6 mt -118.3 134.49 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.959 0.409 . . . . 0.0 111.936 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.653 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -113.23 -18.77 12.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 6.9 tmtm? -156.59 110.32 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.5 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 24.6 m -43.3 148.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.175 0.512 . . . . 0.0 112.1 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.85 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -105.46 131.64 10.74 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.475 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.31 -26.82 68.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 110.573 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.822 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.14 42.73 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.473 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 80.4 t 58.9 88.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.428 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.85 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -116.94 120.71 39.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.25 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.581 ' HB3' ' HB3' ' A' 1578 ' ' SER . 9.7 tp10 -129.25 151.22 50.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.002 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.68 134.85 55.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.592 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.0 p30 46.0 36.73 3.18 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.394 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.581 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 76.8 p -80.18 -166.47 1.05 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.844 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.36 114.15 18.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.008 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.542 HD13 ' HE1' ' A' 1582 ' ' PHE . 1.7 pp -129.51 161.15 39.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.51 . . . . 0.0 111.939 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.4 m -127.91 130.21 48.12 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.542 ' HE1' HD13 ' A' 1580 ' ' ILE . 51.7 m-85 -112.94 116.7 30.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.502 HG23 ' HA ' ' A' 1620 ' ' PRO . 6.2 tt -94.04 107.82 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.233 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.695 ' HB2' HD12 ' A' 1621 ' ' LEU . 34.5 ttpt -92.45 153.15 19.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.426 ' N ' ' HG2' ' A' 1584 ' ' LYS . 67.5 mttm -89.39 149.56 22.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.5 p -79.79 -12.72 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 76.2 p -69.77 -32.79 71.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.5 m -56.2 106.57 0.29 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.771 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 9.7 t -87.48 12.65 11.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.469 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' 1517 ' ' MET . 7.1 t30 -138.33 -40.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 111.175 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -65.01 110.11 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.153 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -142.92 101.74 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.89 166.92 18.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 93.9 t -130.34 132.0 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.418 ' HB2' HD12 ' A' 1550 ' ' ILE . 40.1 ttpt -72.26 131.56 42.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 76.4 52.05 6.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.531 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 40.3 ttm180 -155.59 149.31 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.619 ' HG2' HD11 ' A' 1564 ' ' LEU . 23.3 mt-30 -89.23 141.36 28.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.288 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.531 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 81.9 m-85 -142.82 164.33 30.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 61.6 tp -111.73 122.63 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.256 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.515 HG22 ' HE1' ' A' 1541 ' ' TYR . 74.4 mt -118.12 130.25 73.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 111.721 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.436 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 59.0 mtp -145.38 106.87 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.169 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.904 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -173.99 -178.29 43.8 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.396 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' A' 1538 ' ' GLU . 17.8 tppt? -61.14 161.75 8.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 111.022 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.822 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.1 pt-20 -67.46 -170.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.051 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.535 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -94.56 176.99 6.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' 1607 ' ' LEU . 6.9 mp -109.09 96.54 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.574 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.5 HE21 ' HE2' ' A' 1617 ' ' TYR . 81.8 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.5 ' HE2' HE21 ' A' 1608 ' ' GLN . 37.3 m-85 . . . . . 0 CA--C 1.523 -0.06 0 CA-C-O 120.764 0.316 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 17.9 pt 35.58 98.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.435 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.535 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 18.7 m-85 -61.19 119.72 48.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.953 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . 0.502 ' HA ' HG23 ' A' 1583 ' ' ILE . 73.6 Cg_endo -74.49 123.66 8.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.505 2.137 . . . . 0.0 112.186 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.695 HD12 ' HB2' ' A' 1584 ' ' LYS . 96.2 mt -89.38 107.79 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.741 ' HA ' ' HB2' ' A' 1514 ' ' CYS . 9.3 p-10 -129.73 -160.99 1.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.4 ' HA ' ' N ' ' A' 1515 ' ' GLY . 78.0 p -76.4 7.63 4.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.696 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.477 ' HB3' ' OD2' ' A' 1622 ' ' ASP . 0.2 OUTLIER -105.2 -31.46 9.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.347 . . . . 0.0 110.636 179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 61.8 m -68.9 109.89 4.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.436 ' HB3' ' HB2' ' A' 1602 ' ' MET . 58.0 t-105 -71.26 114.9 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.4 mt -117.84 133.82 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.623 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -141.4 119.31 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.98 128.07 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.231 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -102.86 102.32 26.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.122 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.713 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 71.6 Cg_exo -48.31 98.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.601 2.201 . . . . 0.0 112.604 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -76.01 -13.04 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.71 134.47 34.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.407 ' HB ' ' CD1' ' A' 1643 ' ' LEU . 4.4 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.774 0.321 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.39 82.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.585 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.805 ' HB2' ' HG ' ' A' 1521 ' ' LEU . 47.8 t80 -91.2 -45.26 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.426 HD21 ' O ' ' A' 1631 ' ' PRO . 74.9 mt -53.32 -44.85 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.112 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -56.28 -54.79 41.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.946 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.23 -12.47 61.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 0.0 110.365 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 56.1 tp -90.36 -22.17 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.819 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . 0.473 ' HA ' ' HB3' ' A' 1650 ' ' ALA . 53.8 m-20 -67.8 -34.81 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.673 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.54 -23.93 53.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.502 ' O ' HG22 ' A' 1653 ' ' ILE . 86.1 t80 -109.54 -23.29 11.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.665 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' A' 1647 ' ' ASP . . . -67.71 -33.81 75.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.24 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -101.17 -10.38 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.982 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.584 ' HA ' HD22 ' A' 1656 ' ' ASN . 15.1 t70 -76.56 -69.3 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' 1649 ' ' PHE . 8.8 tp -58.9 -23.51 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 65.8 t80 -75.41 -53.19 9.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 5.7 tt -83.18 -65.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.529 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.584 HD22 ' HA ' ' A' 1652 ' ' ASP . 23.8 m-80 -58.6 -65.93 0.58 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 86.13 -179.0 49.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.853 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.535 0.207 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' 1591 ' ' ALA . 13.8 t -51.11 107.91 0.21 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.902 0.382 . . . . 0.0 110.318 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 98.69 -45.41 1.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.664 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 51.69 94.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.411 -0.395 . . . . 0.0 111.336 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 26.5 mmt -85.82 132.86 34.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -81.86 162.79 22.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' 1522 ' ' ASP . 15.9 mm-40 -70.32 -178.42 1.7 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.55 130.5 56.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 97.0 mt 58.91 20.2 7.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' 1519 ' ' GLU . 5.6 p-10 -61.35 109.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.774 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 87.4 mt -87.93 99.23 11.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 5.4 t -171.01 -38.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.482 HD12 ' HE ' ' A' 1530 ' ' ARG . 4.9 pt -91.43 133.4 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.2 p -91.99 -177.28 4.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -76.71 -9.22 58.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.5 mt-10 -93.56 -34.65 13.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 33.4 m -61.76 -21.29 64.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.482 ' HE ' HD12 ' A' 1525 ' ' ILE . 56.5 mtt180 -95.57 -37.71 10.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.043 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.529 ' HE2' HD13 ' A' 1653 ' ' ILE . 25.6 tptp -67.38 -39.42 85.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' 1528 ' ' GLU . 50.2 mt-30 -57.02 -17.67 10.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.972 0.415 . . . . 0.0 110.553 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.849 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 87.2 m -90.51 -39.76 12.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.723 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.99 86.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.29 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 41.2 t -64.54 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.047 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.849 ' HE3' ' HA ' ' A' 1533 ' ' THR . 10.3 mtmp? -66.23 149.51 97.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.25 -22.0 54.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.487 2.125 . . . . 0.0 112.183 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.88 -26.63 68.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.794 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.639 HG13 HG22 ' A' 1533 ' ' THR . 26.3 mm -101.55 96.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -70.75 -48.63 53.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.608 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.3 p90 -122.1 155.78 34.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.162 0.506 . . . . 0.0 111.415 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.539 ' N ' ' HB3' ' A' 1568 ' ' LYS . . . -145.74 98.7 3.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.918 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.637 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.6 p90 -146.82 176.54 9.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.441 . . . . 0.0 111.646 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.499 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 12.2 ptmm? -118.2 147.48 43.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.051 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.826 HG12 ' HA ' ' A' 1563 ' ' LEU . 8.5 m -140.0 -178.81 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.061 0.458 . . . . 0.0 111.724 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.436 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.7 t -143.21 116.81 9.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.566 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 35.3 mm -60.04 142.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 65.9 p -126.8 -37.22 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.465 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 73.3 m -147.1 154.35 41.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.036 0.446 . . . . 0.0 111.369 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.2 mt -130.54 106.21 12.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.775 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 59.6 m -98.48 145.67 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 10.9 p -140.02 140.71 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.82 -74.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -144.97 -57.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 84.8 t -112.82 -59.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -74.5 122.95 23.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.5 t -98.71 121.57 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.493 ' NZ ' HD12 ' A' 1583 ' ' ILE . 75.5 mmtt -90.61 153.25 20.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.762 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 97.6 m-85 -137.53 103.03 4.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.773 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -82.82 109.8 17.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.53 161.95 31.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.399 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.4 m -108.62 131.15 55.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.826 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.9 tp -70.11 105.66 2.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.212 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.643 ' H ' ' HA ' ' A' 1545 ' ' VAL . 84.0 mt -59.12 -61.39 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 111.246 -179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.606 ' O ' ' HB2' ' A' 1543 ' ' TYR . 9.2 m-20 -151.87 159.76 43.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.723 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.637 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 42.5 mt -112.59 134.88 53.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 120.987 0.422 . . . . 0.0 111.925 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.51 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 44.8 m-85 -113.29 -22.75 10.28 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.539 ' HB3' ' N ' ' A' 1542 ' ' ALA . 20.3 ttmm -144.62 109.64 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.517 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 52.2 m -46.49 143.9 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.067 0.46 . . . . 0.0 111.861 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.846 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -96.77 125.68 8.55 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.452 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -58.05 -25.0 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.563 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -92.3 42.05 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.476 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 76.4 t 60.35 95.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.447 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.846 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -126.21 128.16 46.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.461 ' HB2' ' OG ' ' A' 1578 ' ' SER . 45.4 mt-10 -133.51 153.03 51.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.033 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 61.8 tttm -57.32 123.33 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.638 ' HA ' ' O ' ' A' 1563 ' ' LEU . 21.4 t70 62.05 59.17 1.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.631 ' H ' ' HB3' ' A' 1563 ' ' LEU . 72.6 m -106.57 -179.43 3.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.498 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -103.28 129.49 50.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.591 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.464 HG22 ' CE1' ' A' 1619 ' ' TYR . 9.2 pt -135.72 144.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.403 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 23.2 m -124.08 106.93 10.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.762 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 56.0 m-85 -80.49 128.03 33.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.017 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.81 HG23 ' HA ' ' A' 1620 ' ' PRO . 3.5 tt -111.46 111.0 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.758 ' HB2' HD12 ' A' 1621 ' ' LEU . 1.5 tmmt? -115.26 126.24 54.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.858 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 66.9 mttm -68.2 141.62 55.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.5 p -58.69 -18.16 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.7 p -69.45 -34.84 75.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.736 ' HB2' ' HD3' ' A' 1584 ' ' LYS . 3.7 m -58.92 105.65 0.34 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 91.2 m -84.03 -41.51 17.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.376 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -81.93 19.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.209 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' 1514 ' ' CYS . . . -125.93 113.04 16.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -152.83 100.92 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.81 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' 1593 ' ' LEU . 4.2 mp -92.02 155.24 18.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.428 HG13 ' HD3' ' A' 1597 ' ' ARG . 6.0 p -138.17 137.4 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.465 ' HA ' ' HB ' ' A' 1547 ' ' ILE . 21.6 ptmt -68.05 156.33 37.6 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 89.56 -1.02 81.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.696 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.428 ' HD3' HG13 ' A' 1594 ' ' VAL . 27.5 mtp180 -122.27 165.35 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 111.263 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.427 ' HG3' ' HD2' ' A' 1632 ' ' ARG . 26.8 mt-30 -112.98 145.45 40.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.989 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -139.96 150.64 44.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.916 0.389 . . . . 0.0 111.468 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' 1543 ' ' TYR . 58.6 tp -98.86 131.26 45.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.125 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' 1601 ' ' ILE . 3.7 mp -118.72 132.93 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.075 0.464 . . . . 0.0 111.919 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.518 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 74.4 mtp -147.55 111.24 5.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.127 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.572 ' N ' HG23 ' A' 1539 ' ' ILE . . . 177.44 -171.71 44.45 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 119.772 -1.204 . . . . 0.0 113.781 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -51.6 156.73 1.26 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.862 0.363 . . . . 0.0 111.383 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.516 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.0 pt-20 -65.39 162.69 17.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.848 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.499 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -64.81 148.21 51.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.6 -173.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.689 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.527 ' HG3' ' CE1' ' A' 1617 ' ' TYR . 33.3 tt0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.527 ' CE1' ' HG3' ' A' 1608 ' ' GLN . 2.6 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.452 ' O ' ' HB1' ' A' 1606 ' ' ALA . 36.1 pt -117.7 161.34 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.225 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 13.8 m-85 -110.9 109.54 57.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . 0.81 ' HA ' HG23 ' A' 1583 ' ' ILE . 65.1 Cg_endo -72.35 178.94 5.52 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' 1584 ' ' LYS . 96.3 mt -143.34 97.79 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.774 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.833 ' HB2' HD12 ' A' 1624 ' ' LEU . 12.0 m-20 -120.87 -162.86 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.6 p -80.69 3.71 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.673 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.833 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -103.55 -11.87 17.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.63 ' N ' HD13 ' A' 1624 ' ' LEU . 68.6 m -85.94 134.18 33.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.518 ' HB3' ' HB2' ' A' 1602 ' ' MET . 68.4 t-105 -98.56 113.99 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.799 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.654 HD11 HD22 ' A' 1621 ' ' LEU . 70.4 mt -122.29 111.6 31.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.01 115.4 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.564 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.466 ' O ' ' HD3' ' A' 1631 ' ' PRO . 91.1 t80 -53.63 136.56 38.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.182 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -102.3 100.67 16.21 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.283 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.526 ' HB2' HD11 ' A' 1643 ' ' LEU . 77.6 Cg_exo -48.27 121.68 6.5 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.687 2.258 . . . . 0.0 112.427 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.427 ' HD2' ' HG3' ' A' 1598 ' ' GLN . 80.2 mtp180 -95.44 21.86 7.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.172 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -124.55 131.29 53.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 111.214 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.497 HG22 HD12 ' A' 1643 ' ' LEU . 69.8 p . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.937 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.432 ' OE1' ' HB ' ' A' 1634 ' ' THR . 28.8 mt-30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.839 0.352 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -64.42 -22.31 66.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.028 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 68.7 t80 -98.08 -30.45 12.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' 1631 ' ' PRO . 92.7 mt -88.93 8.8 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -90.62 -28.98 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.634 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -82.18 -34.44 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.537 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.435 HD12 HD23 ' A' 1643 ' ' LEU . 96.8 mt -62.8 -32.05 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.43 -44.78 95.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.465 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.63 -38.82 80.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.498 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.435 ' O ' HG22 ' A' 1653 ' ' ILE . 85.4 t80 -63.7 -29.41 70.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.655 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.22 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -70.07 -15.99 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.115 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.666 ' HA ' HD21 ' A' 1656 ' ' ASN . 11.9 t70 -65.11 -71.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.796 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.554 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 4.9 tp -60.05 -30.67 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.12 -34.59 78.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.6 tt -109.36 -77.42 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.018 0.437 . . . . 0.0 110.967 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.666 HD21 ' HA ' ' A' 1652 ' ' ASP . 5.1 p30 -81.48 37.75 0.47 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.322 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.554 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -56.27 118.1 10.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.573 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 42.7 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.728 ' HB2' ' HG2' ' A' 1516 ' ' GLN . 3.9 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.111 0.481 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.778 ' H ' ' H ' ' A' 1589 ' ' THR . 3.9 m -81.47 -18.04 46.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.007 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.447 ' H ' ' HA ' ' A' 1589 ' ' THR . . . -124.37 -42.83 0.34 Allowed Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.388 -0.824 . . . . 0.0 113.202 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.922 ' H ' ' HA ' ' A' 1589 ' ' THR . 47.7 mt-30 66.72 153.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.915 0.388 . . . . 0.0 111.095 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 9.2 mmt -73.21 -176.72 2.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.034 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -108.25 170.54 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.63 132.21 51.59 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.98 116.1 28.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 93.0 mt 59.48 97.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 9.9 t70 -160.34 112.2 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.683 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.05 99.69 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . 0.479 HG23 HG13 ' A' 1525 ' ' ILE . 9.0 t -175.07 -29.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.009 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.479 HG13 HG23 ' A' 1524 ' ' THR . 59.6 mt -89.05 106.5 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.03 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 50.7 m -76.35 -178.92 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.71 -26.21 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.2 mt-10 -94.09 -22.62 18.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.5 m -57.69 -59.87 4.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.601 HH12 ' HG2' ' A' 1628 ' ' GLU . 16.5 ptp180 -71.19 -24.43 62.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.586 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 23.9 tptm -63.73 -24.83 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.785 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.5 mm-40 -55.49 -24.8 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.297 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.687 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 94.8 m -83.14 -41.35 18.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.809 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.586 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -69.66 -15.09 63.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 1.7 m -87.29 -19.7 27.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.687 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.0 mtmt -63.43 145.27 97.3 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.29 -1.49 9.72 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.612 2.208 . . . . 0.0 112.381 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' 1604 ' ' LYS . 11.4 pt-20 -87.35 -36.98 17.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.645 HD12 ' HA2' ' A' 1603 ' ' GLY . 43.6 mm -78.85 124.36 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -92.81 -64.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.593 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.46 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 2.1 p90 -100.08 163.48 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.294 0.569 . . . . 0.0 112.044 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.83 97.6 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.725 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.559 ' HA ' ' HD1' ' A' 1567 ' ' TYR . 7.1 p90 -142.08 178.71 7.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.064 0.459 . . . . 0.0 111.751 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -124.18 124.84 43.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.163 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.778 HG12 ' HA ' ' A' 1563 ' ' LEU . 8.9 m -119.27 -174.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.0 0.429 . . . . 0.0 111.729 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.451 ' CB ' HD11 ' A' 1564 ' ' LEU . 16.1 t -144.84 125.95 14.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.558 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.499 HG13 ' HB3' ' A' 1593 ' ' LEU . 42.4 mm -64.38 148.29 11.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 73.6 p -135.31 -50.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.56 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.815 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 33.6 t -127.85 165.55 19.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.989 0.423 . . . . 0.0 111.329 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.8 mt -132.24 131.44 60.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 68.4 m -119.61 126.81 52.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.301 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.677 HG23 HG22 ' A' 1557 ' ' VAL . 9.6 p -139.33 138.86 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.33 -71.23 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.003 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . 0.421 ' OD1' HG23 ' A' 1555 ' ' VAL . 5.4 p30 -149.6 -52.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.421 HG23 ' OD1' ' A' 1554 ' ' ASN . 91.4 t -118.05 -55.38 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -77.07 113.46 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.677 HG22 HG23 ' A' 1552 ' ' VAL . 59.4 t -108.98 110.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.539 ' HG3' ' HB ' ' A' 1583 ' ' ILE . 3.8 mppt? -97.59 166.27 11.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -140.52 122.18 15.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.815 ' HB3' ' HB3' ' A' 1549 ' ' SER . 16.4 tppt? -84.8 135.35 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -159.17 163.98 35.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 111.389 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.7 m -117.06 131.99 56.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.957 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.778 ' HA ' HG12 ' A' 1545 ' ' VAL . 14.6 tp -69.54 136.75 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' 1563 ' ' LEU . 9.9 mp -93.44 -51.33 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.648 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.526 ' O ' HD11 ' A' 1563 ' ' LEU . 8.5 m-20 -148.67 153.56 38.44 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.537 HD13 ' HB3' ' A' 1543 ' ' TYR . 9.9 mm -105.98 117.73 52.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.581 ' HB3' HG21 ' A' 1653 ' ' ILE . 55.0 m-85 -97.94 -19.63 17.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.308 0.575 . . . . 0.0 109.706 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.446 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 9.7 tmtt? -155.03 109.92 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.389 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 30.0 m -44.35 142.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.156 0.503 . . . . 0.0 112.034 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.737 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -106.18 148.91 16.55 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.291 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 13.7 mm-40 -75.05 -0.3 18.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.403 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -114.35 67.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.833 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' 1573 ' ' VAL . 8.0 p 39.42 41.43 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.654 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.737 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -74.48 129.34 37.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.974 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.589 ' O ' HD23 ' A' 1563 ' ' LEU . 9.8 tp10 -151.1 147.06 26.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.546 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -55.39 131.85 46.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.643 ' HA ' ' O ' ' A' 1563 ' ' LEU . 15.3 t70 65.53 34.76 7.67 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.421 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.544 ' OG ' ' HB3' ' A' 1575 ' ' GLU . 34.1 m -92.61 -176.5 4.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.483 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.68 137.14 37.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.63 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.403 ' CG1' ' N ' ' A' 1581 ' ' THR . 0.9 OUTLIER -143.33 153.75 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.164 0.507 . . . . 0.0 111.411 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . 0.403 ' N ' ' CG1' ' A' 1580 ' ' ILE . 61.5 m -152.74 118.61 5.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.924 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.421 ' HZ ' HG13 ' A' 1601 ' ' ILE . 89.8 m-85 -80.59 167.41 20.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.638 HG23 ' HA ' ' A' 1620 ' ' PRO . 5.0 tt -158.11 117.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.795 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.74 ' HE3' ' HA ' ' A' 1586 ' ' VAL . 39.3 ttpt -120.9 153.72 36.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.219 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.476 ' O ' HG12 ' A' 1586 ' ' VAL . 97.3 mttt -92.97 20.57 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.507 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.74 ' HA ' ' HE3' ' A' 1584 ' ' LYS . 6.7 p 44.14 24.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.764 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 63.8 p -139.07 -3.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.338 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 1.2 m -133.53 141.71 47.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.959 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . 0.922 ' HA ' ' H ' ' A' 1516 ' ' GLN . 73.8 m 50.34 93.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.614 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.708 ' HB2' ' HB3' ' A' 1513 ' ' ASP . 2.3 t-20 -61.92 85.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.282 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.634 ' HB3' HD21 ' A' 1621 ' ' LEU . . . -113.92 137.19 52.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.42 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -127.7 98.24 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.564 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.499 ' HB3' HG13 ' A' 1547 ' ' ILE . 85.0 mt -84.28 122.84 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 61.9 t -107.04 126.21 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 21.8 pttp -62.99 135.56 57.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 102.9 -18.52 49.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.628 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.5 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 91.2 mtt180 -99.65 169.96 8.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.004 0.431 . . . . 0.0 111.401 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -116.53 143.16 45.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.718 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -139.9 152.79 46.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.907 0.384 . . . . 0.0 111.214 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 61.3 tp -94.56 135.1 36.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.257 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.421 HG13 ' HZ ' ' A' 1582 ' ' PHE . 49.5 mm -128.89 124.87 61.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.961 0.41 . . . . 0.0 111.886 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . . . . . . . . . 31.8 mtm -141.38 117.98 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.109 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.645 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -170.72 177.12 43.97 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.272 -0.966 . . . . 0.0 113.142 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.463 ' HD2' ' C ' ' A' 1604 ' ' LYS . 0.0 OUTLIER -59.37 177.22 0.2 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.863 0.364 . . . . 0.0 111.489 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.471 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.3 pt-20 -60.15 173.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.432 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -103.18 155.84 18.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.244 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' 1617 ' ' TYR . 4.1 mm? -65.35 113.75 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.509 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 45.5 mt-30 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.443 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.582 ' HA ' ' O ' ' A' 1607 ' ' LEU . 1.9 m-30 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.57 0.224 . . . . 0.0 111.558 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 5.6 pt -56.82 145.05 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 111.145 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 20.3 m-85 -97.75 125.89 42.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.719 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . 0.638 ' HA ' HG23 ' A' 1583 ' ' ILE . 28.3 Cg_endo -62.24 -168.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.571 2.18 . . . . 0.0 112.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.67 HD23 ' HD3' ' A' 1584 ' ' LYS . 16.4 tp -153.48 40.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -92.66 -172.38 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.465 ' HB2' ' C ' ' A' 1514 ' ' CYS . 48.2 t -69.98 77.09 0.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.216 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 62.8 tp -175.24 -26.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.359 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 46.5 m -78.81 101.41 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.154 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -66.88 112.77 4.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' 1600 ' ' LEU . 57.7 mt -119.83 135.03 61.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.676 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 10.4 tp10 -132.35 111.94 11.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.5 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 24.6 t80 -57.17 114.73 2.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -100.42 103.36 23.08 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.094 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.514 ' HB2' HD21 ' A' 1643 ' ' LEU . 80.4 Cg_exo -45.29 102.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.674 2.249 . . . . 0.0 112.59 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.423 ' O ' ' HD3' ' A' 1632 ' ' ARG . 4.4 tmt_? -53.66 -42.17 67.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -89.27 110.7 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.756 HG22 HD13 ' A' 1643 ' ' LEU . 63.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.602 ' HA ' HD12 ' A' 1643 ' ' LEU . 28.2 mt-30 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.33 94.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.967 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -84.93 -23.01 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.532 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.756 HD13 HG22 ' A' 1634 ' ' THR . 47.8 mt -73.89 -11.73 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -80.45 -32.99 37.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.021 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.05 -25.31 55.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 85.8 mt -74.87 -31.34 61.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.5 -30.89 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.5 -47.65 69.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.765 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.435 ' O ' HG22 ' A' 1653 ' ' ILE . 81.6 t80 -55.55 -28.25 53.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.787 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.46 92.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -87.33 -7.24 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.023 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.785 ' HA ' HD22 ' A' 1656 ' ' ASN . 1.4 m-20 -84.59 -71.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.042 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.581 HG21 ' HB3' ' A' 1567 ' ' TYR . 8.9 tp -53.98 -25.66 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.189 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 76.8 t80 -78.84 -57.13 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.443 HD13 ' C ' ' A' 1655 ' ' LEU . 3.2 tm? -84.01 -65.84 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.785 HD22 ' HA ' ' A' 1652 ' ' ASP . 34.2 m-80 -58.18 -74.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.217 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 87.36 -168.17 38.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.413 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.888 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.54 0.209 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' 1516 ' ' GLN . 7.4 t 60.13 -152.63 0.39 Allowed 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.48 ' O ' ' HG2' ' A' 1517 ' ' MET . . . -55.8 83.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.774 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' 1514 ' ' CYS . 25.0 mt-30 -47.74 -25.21 1.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.368 0.267 . . . . 0.0 111.541 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' 1515 ' ' GLY . 22.8 mmt 59.05 -174.23 0.1 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.077 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . 0.427 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 11.8 pt20 -151.56 173.36 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.9 144.33 53.19 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.992 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.43 -16.77 64.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 68.5 mt -149.7 102.46 3.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.487 ' OD1' HG13 ' A' 1525 ' ' ILE . 11.2 t70 -129.47 122.63 29.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.672 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 42.2 mt -109.57 14.14 23.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.028 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 70.0 p -92.45 -20.06 21.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.487 HG13 ' OD1' ' A' 1522 ' ' ASP . 85.6 mt -83.87 138.18 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 43.9 t -85.67 169.45 13.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -75.8 -16.22 60.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -93.32 -19.64 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.2 m -74.41 -30.02 61.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.598 HH12 ' HA ' ' A' 1646 ' ' LEU . 4.7 ptm180 -95.08 -12.99 25.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.536 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.2 tmtp? -97.05 -33.36 11.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.806 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.64 -16.73 28.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.974 0.416 . . . . 0.0 110.476 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.697 HG22 HG13 ' A' 1539 ' ' ILE . 48.4 m -91.34 -23.27 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.55 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.07 91.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.14 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 48.9 t -85.25 0.55 51.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.982 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.487 ' HE3' ' HA ' ' A' 1533 ' ' THR . 40.6 ttmt -61.82 133.73 93.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 51.5 Cg_exo -54.48 -43.25 60.53 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.583 2.188 . . . . 0.0 112.214 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.687 ' HG3' ' HE3' ' A' 1604 ' ' LYS . 35.3 tt0 -61.0 -27.67 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.75 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.697 HG13 HG22 ' A' 1533 ' ' THR . 37.2 mm -93.52 110.52 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.037 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -74.47 -64.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.415 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.884 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.1 p90 -105.32 156.62 17.98 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.163 0.506 . . . . 0.0 111.74 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.12 97.67 3.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.326 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.761 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 11.6 p90 -153.78 173.66 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 111.858 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.672 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 21.3 pttp -110.81 150.75 28.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.894 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.848 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.7 m -141.46 -175.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.906 0.384 . . . . 0.0 111.599 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.416 ' HB3' HD11 ' A' 1564 ' ' LEU . 78.9 p -145.98 114.91 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.982 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.507 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.3 mm -56.09 144.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.698 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' 1561 ' ' ALA . 4.8 t -138.14 -8.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.625 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.868 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 36.8 t -165.24 157.09 15.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.985 0.421 . . . . 0.0 111.426 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.6 mt -137.78 133.86 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.671 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . 0.749 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 97.3 m -121.67 133.54 54.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 111.484 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 37.3 t -127.64 122.25 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.407 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.45 -86.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.273 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 15.6 m120 -134.36 -79.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.32 . . . . 0.0 111.218 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 86.8 t -93.75 -42.49 13.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -94.41 144.4 25.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.1 t -117.42 119.14 60.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.749 ' HB2' ' HB ' ' A' 1551 ' ' THR . 3.9 mptp? -85.73 158.11 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -144.48 119.11 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.868 ' HB2' ' HB3' ' A' 1549 ' ' SER . 35.3 mmtp -100.03 121.07 40.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.396 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.619 ' HA ' HG22 ' A' 1548 ' ' THR . . . -138.58 164.29 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.012 0.434 . . . . 0.0 111.673 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -112.92 131.11 55.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.735 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.848 ' HA ' HG12 ' A' 1545 ' ' VAL . 1.8 tt -66.38 134.24 52.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.672 ' HB2' ' HG3' ' A' 1544 ' ' LYS . 74.1 mt -90.12 -49.78 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.712 0.292 . . . . 0.0 110.824 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.8 t70 -166.98 138.46 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.761 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 65.6 mt -95.24 132.33 39.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.144 0.497 . . . . 0.0 112.063 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' 1542 ' ' ALA . 28.5 m-85 -107.33 -18.34 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.196 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.5 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 87.0 tttt -154.27 117.44 4.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.735 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . 0.61 HG22 ' H ' ' A' 1571 ' ' GLU . 12.2 m -46.81 153.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.066 0.46 . . . . 0.0 111.616 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.884 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -84.98 -3.02 88.13 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.998 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.61 ' H ' HG22 ' A' 1569 ' ' THR . 37.2 tt0 59.55 10.24 1.84 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.14 0.495 . . . . 0.0 110.628 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -131.93 -77.21 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.335 0.588 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' 1573 ' ' VAL . 9.3 p -151.7 37.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.014 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.793 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -83.12 116.36 22.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.919 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.422 ' O ' HD13 ' A' 1563 ' ' LEU . 45.7 mt-10 -129.83 137.01 50.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.663 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -51.93 122.46 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.697 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.0 t70 66.17 42.38 3.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 46.4 p -90.15 -168.0 2.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.562 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -111.88 104.88 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.526 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.667 HD12 ' HE1' ' A' 1582 ' ' PHE . 28.9 pt -100.96 148.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.52 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.5 m -140.32 100.42 3.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.653 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.667 ' HE1' HD12 ' A' 1580 ' ' ILE . 60.2 m-85 -94.33 136.2 34.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.309 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.689 HG22 ' HG3' ' A' 1558 ' ' LYS . 44.7 pt -123.95 146.15 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.891 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.788 ' HB3' HD23 ' A' 1621 ' ' LEU . 58.3 pttt -139.46 -169.69 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.504 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -101.72 -174.84 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.821 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.0 p -85.58 -29.12 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.3 p -82.3 6.64 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.99 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.54 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 25.7 t -90.93 31.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.682 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 7.3 t -54.98 -25.54 30.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.446 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 22.0 m120 -59.61 -55.62 32.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.914 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.436 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -67.57 102.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.731 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -107.17 146.26 31.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.192 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.6 mt -134.15 168.83 18.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.73 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.494 ' HB ' ' HB2' ' A' 1597 ' ' ARG . 49.0 t -133.29 130.89 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -68.72 107.28 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.688 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 106.03 6.99 36.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.323 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.662 ' HE ' ' HA ' ' A' 1597 ' ' ARG . 2.5 tpm_? -100.96 158.95 15.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.72 0.295 . . . . 0.0 110.653 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' 1597 ' ' ARG . 25.3 mt-30 -103.09 133.16 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -140.03 144.4 36.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.591 HD22 HH21 ' A' 1530 ' ' ARG . 61.2 tp -89.34 122.55 32.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.3 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.501 HG22 ' HE1' ' A' 1541 ' ' TYR . 77.3 mt -115.54 127.3 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.096 0.474 . . . . 0.0 111.549 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.497 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 60.1 mtp -144.52 118.27 9.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.194 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.581 ' N ' HG23 ' A' 1539 ' ' ILE . . . 174.57 -162.16 32.2 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.068 -1.063 . . . . 0.0 113.547 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.687 ' HE3' ' HG3' ' A' 1538 ' ' GLU . 35.0 mmtp -49.58 148.61 2.78 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.75 0.31 . . . . 0.0 111.317 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.41 -174.49 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.191 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -76.61 153.32 35.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.447 HD12 HG13 ' A' 1618 ' ' ILE . 93.2 mt -67.89 -170.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.791 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.468 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 54.7 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.272 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.468 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 16.5 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.447 HG13 HD12 ' A' 1607 ' ' LEU . 37.5 pt -66.73 -178.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.279 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.483 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 68.4 m-85 -128.62 134.84 26.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.991 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.87 171.81 16.68 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.588 2.192 . . . . 0.0 112.29 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.788 HD23 ' HB3' ' A' 1584 ' ' LYS . 52.1 tp -150.63 104.59 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.788 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 10.6 m-20 -137.7 -160.14 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 47.9 t -74.71 -34.77 62.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.558 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.498 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.8 pt? -67.11 -15.58 63.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.28 . . . . 0.0 110.964 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 55.6 m -71.23 112.81 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.497 ' HB3' ' HB2' ' A' 1602 ' ' MET . 50.1 t-105 -74.98 109.77 8.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' A' 1600 ' ' LEU . 62.9 mt -123.92 123.2 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -125.84 149.19 48.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.031 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.496 ' O ' ' HD3' ' A' 1631 ' ' PRO . 38.8 t80 -80.71 130.07 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.402 ' CZ2' HD23 ' A' 1646 ' ' LEU . 4.7 t-105 -108.88 92.13 10.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.471 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.8 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.4 Cg_exo -53.76 102.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.589 2.193 . . . . 0.0 112.408 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -74.71 -23.27 58.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.695 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -89.03 137.16 32.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.779 ' HA ' HD23 ' A' 1643 ' ' LEU . 19.5 pm0 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -66.16 -26.44 67.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.573 ' O ' HD13 ' A' 1646 ' ' LEU . 56.2 t80 -76.22 -31.39 58.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.809 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.8 HD21 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -74.15 -0.45 16.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.13 -54.78 4.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.7 p30 -62.7 -15.61 53.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.698 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.598 ' HA ' HH12 ' A' 1530 ' ' ARG . 8.6 mp -77.02 -32.16 56.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.609 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.96 -39.04 93.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' 1652 ' ' ASP . 1.3 mp0 -74.52 -1.1 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 47.9 t80 -103.44 -30.77 10.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.803 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . 0.627 ' O ' HG22 ' A' 1653 ' ' ILE . . . -59.41 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.31 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . 0.627 ' HA ' ' HD2' ' A' 1654 ' ' PHE . 28.7 tt0 -60.75 -4.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.312 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' 1648 ' ' GLU . 22.6 t70 -74.47 -6.78 50.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.454 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' 1650 ' ' ALA . 6.6 tt -114.33 -42.34 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . 0.627 ' HD2' ' HA ' ' A' 1651 ' ' GLU . 9.5 m-85 -68.18 -44.8 75.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.937 0.399 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.432 ' HB2' ' HG2' ' A' 1651 ' ' GLU . 1.4 tp -75.89 -46.1 31.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.026 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' 1652 ' ' ASP . 44.0 m-80 -75.3 -72.1 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.88 108.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.883 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.709 0.29 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.628 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 35.2 t -50.17 110.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.801 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.482 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 80.24 38.91 16.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.105 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.408 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 53.5 tt0 -51.93 103.4 0.06 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.837 0.351 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 25.2 mmt -71.63 151.67 43.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . 0.503 ' HG3' ' HG2' ' A' 1628 ' ' GLU . 15.7 mm100 -79.92 167.89 19.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.612 ' HB2' ' HB3' ' A' 1522 ' ' ASP . 45.8 mt-10 -66.65 171.33 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -103.02 128.04 50.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' 1642 ' ' PHE . 76.0 mt 57.73 21.98 7.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.612 ' HB3' ' HB2' ' A' 1519 ' ' GLU . 5.4 p-10 -57.97 104.99 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.737 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 67.5 mt -91.13 97.33 11.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . 0.472 HG23 HG13 ' A' 1525 ' ' ILE . 6.9 t -172.97 -24.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.472 HG13 HG23 ' A' 1524 ' ' THR . 60.0 mt -94.67 122.15 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 85.8 p -86.49 -175.75 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.795 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -81.93 0.45 39.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -119.56 -12.57 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 86.7 m -84.37 -36.27 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.451 ' HB3' HG21 ' A' 1525 ' ' ILE . 5.5 ptp180 -86.94 -24.61 24.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.021 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.614 ' HE3' HD13 ' A' 1653 ' ' ILE . 88.1 tttt -68.64 -22.48 64.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -55.6 -22.06 20.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.03 0.443 . . . . 0.0 110.326 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.742 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 48.2 m -91.03 -30.11 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.516 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.68 71.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 32.8 t -102.98 5.19 38.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.755 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.742 ' HE3' ' HA ' ' A' 1533 ' ' THR . 38.0 ttmt -61.18 137.48 94.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.739 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.22 -52.56 8.53 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.676 2.251 . . . . 0.0 112.865 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.436 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.7 pt-20 -59.6 -28.62 67.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.055 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.614 HD12 ' HA2' ' A' 1603 ' ' GLY . 45.3 mm -84.71 144.36 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.424 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -114.82 -67.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.694 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.933 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.0 p90 -93.13 157.82 16.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.29 0.567 . . . . 0.0 112.186 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.84 99.95 2.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.468 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.673 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.5 OUTLIER -152.38 179.46 8.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.046 0.451 . . . . 0.0 112.089 -178.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.649 ' NZ ' ' HB3' ' A' 1564 ' ' LEU . 22.8 pttp -115.97 141.23 48.39 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.751 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.925 HG12 ' HA ' ' A' 1563 ' ' LEU . 10.6 m -138.88 177.14 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.293 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.463 ' CB ' HD11 ' A' 1564 ' ' LEU . 18.2 t -146.1 129.91 17.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.633 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.2 mm -67.52 131.0 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.788 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . 0.477 ' O ' ' HE2' ' A' 1595 ' ' LYS . 5.4 t -132.95 -10.66 3.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.548 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.871 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 56.3 m -150.11 138.71 20.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.3 mt -135.46 117.65 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 93.2 m -103.53 103.38 13.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.269 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.2 p -105.69 126.79 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.72 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -114.82 -67.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -166.33 -62.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.502 HG12 HG11 ' A' 1586 ' ' VAL . 4.9 m -107.57 -49.21 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.42 ' N ' HG23 ' A' 1555 ' ' VAL . 10.5 m-85 -95.43 113.21 24.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.657 HG13 ' HB3' ' A' 1584 ' ' LYS . 7.1 p -114.6 140.39 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.738 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 31.1 mttp -120.39 159.92 24.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.094 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.606 ' HE1' ' HE2' ' A' 1584 ' ' LYS . 89.8 m-85 -134.6 109.1 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.871 ' HB2' ' HB2' ' A' 1549 ' ' SER . 3.2 mmmp? -88.27 98.77 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.226 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -105.76 169.68 8.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 111.663 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 7.2 m -115.59 129.68 56.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.997 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.925 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.9 tp -73.2 95.27 2.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.649 ' HB3' ' NZ ' ' A' 1544 ' ' LYS . 9.0 mp -49.81 -50.88 43.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.578 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.615 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.6 t70 -166.25 152.52 9.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.795 HG12 HD21 ' A' 1563 ' ' LEU . 55.0 mt -99.5 123.08 52.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.942 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.552 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 84.0 m-85 -99.87 -20.73 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.449 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 2.7 tmtp? -154.66 123.13 6.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.303 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . 0.488 HG22 ' H ' ' A' 1571 ' ' GLU . 4.6 m -46.11 155.73 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.202 0.525 . . . . 0.0 111.897 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.933 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -93.2 0.69 69.11 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.014 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.488 ' H ' HG22 ' A' 1569 ' ' THR . 44.2 mt-10 58.04 8.54 0.77 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.035 0.445 . . . . 0.0 110.7 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -152.38 71.22 0.94 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.224 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 94.1 t 56.33 80.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.412 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.559 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -108.9 125.06 51.61 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.09 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' 1563 ' ' LEU . 41.0 mt-10 -135.06 146.35 48.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.915 0.388 . . . . 0.0 111.352 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.63 144.21 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.043 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.619 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.4 p30 46.93 32.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 61.2 p -70.61 -165.97 0.13 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -120.13 136.02 54.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.421 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.612 HD12 ' HE1' ' A' 1582 ' ' PHE . 20.8 pt -139.23 145.09 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 111.723 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 16.3 m -125.48 138.06 53.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.647 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.612 ' HE1' HD12 ' A' 1580 ' ' ILE . 48.5 m-85 -123.91 120.48 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.337 0.589 . . . . 0.0 111.504 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . . . . . . . . . 15.6 mm -89.31 152.49 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.723 ' HB2' HD12 ' A' 1621 ' ' LEU . 10.9 ttmm -146.45 146.42 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' A' 1584 ' ' LYS . 30.7 mmtp -100.2 179.19 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.705 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.502 HG11 HG12 ' A' 1555 ' ' VAL . 22.3 m -74.43 -22.01 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.276 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.6 p -72.55 -37.99 68.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.279 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.628 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.7 m -67.93 86.54 0.24 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.807 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 57.1 m -100.13 -33.17 10.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.408 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 3.0 t-20 -68.99 -20.5 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.662 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.482 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -90.84 126.64 36.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.73 137.1 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.48 HD22 HD11 ' A' 1547 ' ' ILE . 1.8 mp -120.91 169.97 9.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 62.1 t -123.81 140.5 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.477 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.9 tttm -75.61 110.14 9.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 123.92 -35.73 3.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.626 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -74.22 167.63 21.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.06 0.457 . . . . 0.0 111.285 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.14 144.37 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.741 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -141.19 142.23 34.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.299 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' 1627 ' ' ILE . 48.4 tp -87.67 133.16 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.072 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . . . . . . . . . 70.8 mt -130.85 130.77 64.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.09 0.471 . . . . 0.0 112.063 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.517 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 30.6 mtm -145.21 129.25 17.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.867 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.614 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -179.06 175.31 47.19 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.154 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' A' 1604 ' ' LYS . 0.0 OUTLIER -52.61 164.96 0.3 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 111.435 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -59.08 154.01 16.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.48 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -60.75 169.08 1.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.529 HD13 HG13 ' A' 1618 ' ' ILE . 7.5 mp -61.86 -177.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.399 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 19.4 m-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.738 0.304 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.529 HG13 HD13 ' A' 1607 ' ' LEU . 42.2 pt -89.7 173.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.789 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' A' 1582 ' ' PHE . 50.6 m-85 -128.65 131.06 23.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.424 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.14 179.31 6.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.562 2.175 . . . . 0.0 112.135 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.723 HD12 ' HB2' ' A' 1584 ' ' LYS . 32.7 mt -133.24 23.65 4.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -175.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.1 p -71.83 -20.0 61.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.458 ' O ' HD23 ' A' 1624 ' ' LEU . 3.5 tt -63.52 -49.05 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.56 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.401 ' O ' HG13 ' A' 1627 ' ' ILE . 44.0 m -53.57 101.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.472 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -62.92 105.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.544 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.7 mt -124.09 136.59 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.351 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.503 ' HG2' ' HG3' ' A' 1518 ' ' GLN . 46.9 mt-10 -135.44 155.89 49.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.474 ' O ' ' HD3' ' A' 1631 ' ' PRO . 13.2 t80 -86.35 115.81 24.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.453 ' CD2' HD13 ' A' 1646 ' ' LEU . 3.1 t-105 -98.82 103.31 18.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.131 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.62 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 63.6 Cg_exo -51.07 99.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.455 2.103 . . . . 0.0 112.314 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.99 -24.36 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.01 128.01 55.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.839 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.5 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.991 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.847 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 6.3 mm100 . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.65 0.262 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' 1640 ' ' GLN . . . 165.91 -75.54 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.62 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 43.9 t80 -108.45 -6.74 16.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.847 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.9 mm? -77.18 -6.23 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.085 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -78.98 -39.39 34.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.289 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -86.05 -7.18 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.586 HD12 HD13 ' A' 1643 ' ' LEU . 94.7 mt -93.65 -30.34 14.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.75 -44.45 64.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.79 -39.03 87.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.494 ' O ' HG22 ' A' 1653 ' ' ILE . 88.7 t80 -65.75 -22.66 66.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -72.18 -59.05 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.369 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.07 -31.99 72.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.398 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.26 -65.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.585 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.614 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.9 tp -61.46 -32.56 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.787 0.327 . . . . 0.0 111.594 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 45.8 t80 -71.55 -36.55 70.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.402 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 95.4 mt -97.66 -69.71 0.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.316 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.693 HD22 ' N ' ' A' 1656 ' ' ASN . 0.7 OUTLIER -59.06 -71.03 0.13 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.106 -179.513 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.532 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.05 149.11 1.5 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.898 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' 1514 ' ' CYS . 4.2 p-10 . . . . . 0 CA--C 1.521 -0.142 0 N-CA-C 111.403 0.149 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' 1513 ' ' ASP . 4.4 p 38.01 -140.8 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' A' 1517 ' ' MET . . . -66.18 75.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.248 -0.977 . . . . 0.0 111.343 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -49.52 126.96 14.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.719 0.295 . . . . 0.0 111.309 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.474 ' HG3' ' O ' ' A' 1515 ' ' GLY . 43.9 mtm -132.16 134.9 45.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.844 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . 0.408 ' NE2' ' N ' ' A' 1518 ' ' GLN . 1.6 mp0 -65.7 173.84 2.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.876 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 46.6 mt-10 -67.95 -177.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . 0.621 ' HA ' ' HB3' ' A' 1629 ' ' TYR . 1.9 mp0 -89.97 -76.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.508 ' O ' ' HG ' ' A' 1523 ' ' LEU . 95.3 mt -85.98 31.45 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.223 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.876 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 19.1 t70 -58.81 106.01 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.784 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' 1521 ' ' LEU . 75.6 mt -104.31 96.04 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.4 t -173.3 -16.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.562 ' HB ' HH21 ' A' 1530 ' ' ARG . 65.3 mt -83.2 137.83 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.8 t -81.71 165.99 20.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -78.7 -17.61 55.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.5 mt-10 -91.99 -50.18 5.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.6 m -57.38 -33.75 68.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.562 HH21 ' HB ' ' A' 1525 ' ' ILE . 41.8 ttm180 -74.64 -26.15 59.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.74 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.5 ' HG3' ' OD1' ' A' 1652 ' ' ASP . 9.0 tmtm? -82.4 -31.08 29.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.77 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.0 mt-30 -57.6 -16.51 10.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.667 ' HA ' ' HB2' ' A' 1536 ' ' LYS . 60.5 m -87.61 -35.61 17.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.793 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.98 -25.83 65.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.9 t -116.89 5.06 12.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.566 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.801 ' HB3' HD13 ' A' 1539 ' ' ILE . 23.4 ttmm -61.97 141.62 95.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.556 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.54 -48.68 19.3 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.681 2.254 . . . . 0.0 113.025 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.596 ' HG3' HD12 ' A' 1539 ' ' ILE . 3.6 pt-20 -67.86 -5.85 18.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.636 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.893 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.4 mp -113.3 129.35 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.743 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -95.53 -63.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.439 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.525 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 6.1 p90 -102.85 159.8 15.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.007 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.503 ' HB3' ' CB ' ' A' 1568 ' ' LYS . . . -149.46 93.62 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.689 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.694 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 1.3 p90 -143.16 -177.92 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.062 0.458 . . . . 0.0 112.023 -178.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 53.2 tttm -120.31 131.51 54.91 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.854 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.7 m -129.88 -175.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.272 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.453 ' CB ' HD21 ' A' 1564 ' ' LEU . 22.9 t -151.56 136.13 17.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.61 HD13 ' HB2' ' A' 1561 ' ' ALA . 40.8 mm -72.73 127.21 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.72 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 67.1 p -118.6 -28.84 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.448 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.679 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 41.7 t -141.52 154.95 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.962 0.411 . . . . 0.0 111.263 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 81.9 mt -143.16 116.28 3.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.8 m -108.06 121.95 45.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 26.0 t -112.53 124.36 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -103.58 -79.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -147.79 -72.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 23.2 t -102.49 -40.48 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.57 117.34 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' 1583 ' ' ILE . 45.1 t -101.65 134.44 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.758 ' HG3' HG22 ' A' 1583 ' ' ILE . 3.7 mptp? -98.95 153.02 19.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.774 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' 1593 ' ' LEU . 94.7 m-85 -140.01 113.26 8.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.006 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.679 ' HB2' ' HB3' ' A' 1549 ' ' SER . 35.2 mmtp -94.39 118.37 31.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.462 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.61 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -130.76 149.09 52.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.988 0.423 . . . . 0.0 111.475 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.8 m -99.27 137.74 37.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.117 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.854 ' HA ' HG12 ' A' 1545 ' ' VAL . 12.7 tp -81.06 101.07 9.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.373 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' 1546 ' ' SER . 4.0 mm? -60.39 -43.23 96.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.505 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' A' 1543 ' ' TYR . 13.0 t70 -166.94 158.66 12.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.171 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.767 HG12 HD21 ' A' 1563 ' ' LEU . 54.4 mt -109.92 131.22 61.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.836 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.694 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 93.0 m-85 -106.41 -16.12 14.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.503 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 10.8 tmtt? -158.25 110.28 2.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.359 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 31.8 m -42.23 146.51 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.231 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.811 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -103.82 136.41 12.95 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.498 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.39 -27.56 67.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.534 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.854 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -86.94 44.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.526 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.7 t 57.33 87.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.104 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.811 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -118.39 124.13 46.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.621 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.472 ' O ' HD23 ' A' 1563 ' ' LEU . 24.7 mm-40 -133.63 150.58 51.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.293 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -53.33 122.14 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.621 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 60.24 66.13 1.0 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.139 0.495 . . . . 0.0 110.691 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.681 ' H ' ' HB3' ' A' 1563 ' ' LEU . 41.9 p -109.54 -167.21 1.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.714 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -124.07 117.18 24.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.559 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.72 HD11 HG11 ' A' 1545 ' ' VAL . 12.1 pt -127.39 141.03 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.483 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 15.8 m -115.38 140.4 49.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.971 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.649 ' HD2' ' HB2' ' A' 1621 ' ' LEU . 51.3 m-85 -127.16 121.84 32.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.758 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.8 pt -115.99 143.33 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.408 ' HE2' ' CE2' ' A' 1559 ' ' TYR . 64.3 pttt -151.95 -175.35 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.977 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.514 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.7 mptp? -87.05 155.97 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.2 p -85.61 -15.41 10.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 76.3 p -81.2 9.06 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.365 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.612 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 11.2 t -63.17 123.99 20.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.581 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 15.1 m -114.95 59.44 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.605 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 3.3 p30 176.99 -31.22 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.253 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.612 ' HB3' ' SG ' ' A' 1588 ' ' CYS . . . -105.69 127.59 53.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 111.563 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -144.94 85.43 1.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.584 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.494 HD12 HD11 ' A' 1547 ' ' ILE . 1.3 mm? -55.37 123.08 12.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.694 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 60.1 t -102.35 133.61 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.67 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.1 ttmt -76.25 127.16 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 101.57 0.71 53.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.658 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.694 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 87.8 mtt180 -106.53 164.66 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.952 0.406 . . . . 0.0 111.378 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -112.74 137.13 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -136.59 147.66 47.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.08 0.467 . . . . 0.0 111.393 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' 1543 ' ' TYR . 59.3 tp -95.26 124.55 39.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.114 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.489 HG22 ' HE1' ' A' 1541 ' ' TYR . 59.6 mt -112.57 128.97 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.092 0.472 . . . . 0.0 111.807 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.418 ' HE2' ' HB ' ' A' 1533 ' ' THR . 71.0 mtp -145.54 109.4 4.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.095 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.893 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -177.62 -178.09 46.94 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.364 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.9 tppp? -57.97 161.18 4.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 0.0 111.135 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.854 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.2 pt-20 -66.17 -179.64 0.8 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.964 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -99.25 164.29 12.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.549 ' H ' HD23 ' A' 1607 ' ' LEU . 1.5 pt? -130.26 139.7 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.849 ' HB3' ' HD1' ' A' 1617 ' ' TYR . 56.9 tp60 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.039 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.849 ' HD1' ' HB3' ' A' 1608 ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.884 0.374 . . . . 0.0 111.095 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.559 HD12 HD13 ' A' 1583 ' ' ILE . 32.5 pt -116.29 123.75 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.635 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.467 ' HD1' ' H ' ' A' 1619 ' ' TYR . 0.8 OUTLIER -69.19 121.42 81.84 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.884 -179.354 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . 0.5 ' HG3' HD21 ' A' 1607 ' ' LEU . 38.4 Cg_endo -65.75 -24.11 55.02 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.722 2.281 . . . . 0.0 112.758 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.795 HD11 HD11 ' A' 1627 ' ' ILE . 55.4 tp 51.87 86.53 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -108.86 -177.57 3.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 65.9 p -67.68 -11.76 58.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.8 -33.75 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.505 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.502 ' O ' HG13 ' A' 1627 ' ' ILE . 60.3 m -60.28 98.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.087 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 61.0 t-105 -58.33 103.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.795 HD11 HD11 ' A' 1621 ' ' LEU . 84.3 mt -109.87 131.31 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -138.12 119.3 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.013 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.621 ' HB3' ' HA ' ' A' 1520 ' ' GLU . 80.7 t80 -57.28 136.06 56.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -101.47 102.04 20.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.477 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.4 Cg_exo -54.16 111.44 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.582 2.188 . . . . 0.0 112.406 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -87.95 -24.8 23.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.31 113.72 17.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.81 0.338 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.8 -21.0 66.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 39.0 t80 -96.76 -42.89 7.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.488 ' H ' HD22 ' A' 1643 ' ' LEU . 2.9 mm? -65.43 -18.88 65.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -68.62 -54.85 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -75.22 -21.22 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.71 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 56.5 tp -78.96 -29.4 43.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.714 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.0 -34.29 78.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.05 -17.07 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.511 ' O ' HG22 ' A' 1653 ' ' ILE . 85.7 t80 -89.56 -24.69 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -57.96 -72.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.374 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.97 -27.16 61.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.5 ' OD1' ' HG3' ' A' 1531 ' ' LYS . 14.8 t70 -60.21 -68.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.28 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.524 HG12 ' HB3' ' A' 1567 ' ' TYR . 8.5 tp -67.97 -25.39 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.422 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 39.1 t80 -73.95 -36.53 64.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.534 HD12 ' ND2' ' A' 1656 ' ' ASN . 2.5 tm? -105.57 -71.54 0.74 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.711 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.534 ' ND2' HD12 ' A' 1655 ' ' LEU . 19.5 m-80 -82.41 26.35 0.56 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.009 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.495 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -62.49 178.16 5.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.059 -0.591 . . . . 0.0 113.145 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.909 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.483 ' OD2' ' HB3' ' A' 1623 ' ' SER . 4.0 p-10 . . . . . 0 N--CA 1.457 -0.109 0 N-CA-C 111.241 0.089 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' 1516 ' ' GLN . 29.7 p 41.8 -145.75 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -61.34 76.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.207 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' 1514 ' ' CYS . 65.1 tt0 -51.7 104.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.802 0.334 . . . . 0.0 110.97 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 64.4 mtt -86.3 140.5 30.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -84.17 176.87 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.03 171.49 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.34 145.94 45.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' 1521 ' ' LEU . 0.2 OUTLIER 59.67 14.53 4.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.217 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.537 ' OD2' HG13 ' A' 1525 ' ' ILE . 37.5 t70 -63.85 101.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.283 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.441 HD23 ' HD1' ' A' 1642 ' ' PHE . 21.9 mt -86.01 28.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.509 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 64.2 p -116.97 9.45 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.62 0.248 . . . . 0.0 111.345 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.537 HG13 ' OD2' ' A' 1522 ' ' ASP . 76.4 mt -104.45 137.73 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.997 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 48.7 m -84.61 -176.01 6.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -87.65 -32.35 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.167 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' 1532 ' ' GLN . 15.4 mm-40 -84.33 -24.95 29.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 71.4 m -61.89 -34.46 76.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.531 ' NH2' ' HG2' ' A' 1628 ' ' GLU . 13.0 ptm180 -102.0 2.12 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.693 ' HE3' HG13 ' A' 1653 ' ' ILE . 19.2 tptm -98.22 -37.19 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' 1528 ' ' GLU . 80.4 mt-30 -54.2 -27.63 35.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.43 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.714 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 85.4 m -66.68 -41.46 88.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.713 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -67.44 -11.07 56.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.8 t -104.67 -7.85 19.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.714 ' HE2' ' HA ' ' A' 1533 ' ' THR . 52.2 mtmt -71.86 150.51 92.95 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.96 -27.18 30.65 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.564 2.176 . . . . 0.0 112.182 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.0 -12.39 60.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.739 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.661 HD12 ' HA2' ' A' 1603 ' ' GLY . 40.6 mm -111.48 153.58 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.693 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.501 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -128.52 -66.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.7 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.834 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.7 p90 -98.11 156.82 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.382 0.611 . . . . 0.0 112.291 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' 1568 ' ' LYS . . . -150.33 100.45 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.585 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' A' 1565 ' ' ASP . 9.6 p90 -144.9 174.76 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.111 0.482 . . . . 0.0 111.79 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -114.98 139.17 50.05 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.118 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.878 HG12 ' HA ' ' A' 1563 ' ' LEU . 15.3 m -138.86 -179.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.639 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 11.2 t -144.12 122.66 12.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.701 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.562 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.1 mm -61.75 141.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.838 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 68.9 p -135.17 -33.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.626 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 36.9 t -130.23 155.56 46.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.09 0.471 . . . . 0.0 111.402 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.461 HG12 ' HD1' ' A' 1559 ' ' TYR . 86.8 mt -143.22 115.47 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 73.3 m -117.75 124.36 48.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.717 HG23 HG22 ' A' 1557 ' ' VAL . 5.7 p -136.28 136.98 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -101.94 -72.21 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 18.0 m120 -143.79 -72.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.483 ' HB ' ' HB ' ' A' 1586 ' ' VAL . 6.8 m -99.49 -51.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.454 ' N ' HG23 ' A' 1555 ' ' VAL . 63.2 m-85 -82.46 130.27 35.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.846 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.717 HG22 HG23 ' A' 1552 ' ' VAL . 40.8 t -113.76 151.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.417 ' CB ' HG22 ' A' 1583 ' ' ILE . 35.6 mttp -137.15 107.56 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.461 ' HD1' HG12 ' A' 1550 ' ' ILE . 96.2 m-85 -93.91 146.12 24.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.714 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 62.4 mttm -128.86 133.07 47.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.492 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.562 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -141.83 173.1 11.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.982 0.42 . . . . 0.0 111.577 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.3 m -110.11 134.34 52.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.784 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.878 ' HA ' HG12 ' A' 1545 ' ' VAL . 22.6 tp -72.69 122.13 20.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.081 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.9 mp -81.2 -42.0 21.46 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.337 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.0 t70 -168.02 155.1 8.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.732 0.301 . . . . 0.0 111.498 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.56 HG12 HD21 ' A' 1563 ' ' LEU . 16.2 mm -103.54 125.49 58.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.561 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.462 ' HB2' ' O ' ' A' 1542 ' ' ALA . 45.4 m-85 -106.19 -21.57 13.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.411 0.624 . . . . 0.0 109.588 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.501 ' HD2' ' O ' ' A' 1540 ' ' ALA . 3.4 tmtp? -151.21 118.88 6.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.13 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . 0.587 HG22 ' H ' ' A' 1571 ' ' GLU . 2.9 m -46.44 151.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.115 0.483 . . . . 0.0 112.045 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.834 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -95.6 -4.96 60.4 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.905 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.587 ' H ' HG22 ' A' 1569 ' ' THR . 44.7 mt-10 74.49 -44.29 0.55 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.492 0.317 . . . . 0.0 110.91 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -87.8 48.75 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.492 . . . . 0.0 110.106 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 76.0 t 60.65 82.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.971 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.695 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -117.39 129.57 55.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.362 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.599 ' O ' HD23 ' A' 1563 ' ' LEU . 45.4 mt-10 -145.22 138.47 26.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.888 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 9.0 ptpp? -47.83 142.75 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.617 ' HA ' ' O ' ' A' 1563 ' ' LEU . 10.9 t70 71.37 31.53 2.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.419 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.664 ' H ' ' HB3' ' A' 1563 ' ' LEU . 4.4 m -92.87 -171.2 2.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -109.95 142.51 41.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.625 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.733 HD12 ' HE2' ' A' 1582 ' ' PHE . 32.1 pt -141.22 149.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.554 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 32.2 m -140.69 103.5 4.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.82 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.733 ' HE2' HD12 ' A' 1580 ' ' ILE . 89.4 m-85 -95.43 109.3 21.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.216 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.417 HG22 ' CB ' ' A' 1558 ' ' LYS . 41.5 pt -100.33 144.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.671 ' HB3' HD23 ' A' 1621 ' ' LEU . 65.4 pttt -129.65 175.09 9.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' 1585 ' ' LYS . 12.0 mptt -97.89 -175.23 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.483 ' HB ' ' HB ' ' A' 1555 ' ' VAL . 8.0 p -85.04 -27.93 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.056 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.0 p -83.09 7.52 15.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.473 ' C ' ' H ' ' A' 1590 ' ' ASN . 41.3 t -69.79 -95.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 38.7 m 71.51 -27.18 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.73 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' 1588 ' ' CYS . 16.9 m120 -79.42 -26.51 41.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' 1515 ' ' GLY . . . -113.14 101.32 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -125.92 109.83 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.445 ' HB3' HG13 ' A' 1547 ' ' ILE . 90.1 mt -79.88 120.48 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 88.7 t -84.22 127.77 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -67.48 141.94 56.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 71.38 36.24 63.19 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.376 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.603 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 35.5 ttm180 -142.34 153.69 44.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -98.48 136.56 38.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 0.0 111.496 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.511 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 80.7 m-85 -138.77 159.38 42.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.789 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' 1543 ' ' TYR . 44.6 tp -108.82 124.39 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.564 HD13 HG22 ' A' 1545 ' ' VAL . 2.4 mp -113.88 129.19 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.481 . . . . 0.0 111.618 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.618 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 77.1 mtp -142.32 111.47 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.923 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.661 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -167.28 178.72 41.26 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 119.825 -1.178 . . . . 0.0 113.789 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.654 ' HD3' ' N ' ' A' 1605 ' ' GLU . 7.2 tmtm? -56.55 156.19 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 111.167 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.654 ' N ' ' HD3' ' A' 1604 ' ' LYS . 39.4 tt0 -52.95 150.95 5.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.229 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -71.74 146.45 48.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.984 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.0 mt -68.98 130.9 44.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.807 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.769 -179.852 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.853 0.359 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 2.7 pp -106.27 152.4 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.601 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' 1582 ' ' PHE . 61.8 m-85 -101.06 123.34 45.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.297 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.86 -175.58 2.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.628 2.218 . . . . 0.0 112.234 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.671 HD23 ' HB3' ' A' 1584 ' ' LYS . 32.8 tp -154.9 96.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.558 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.1 m-20 -142.7 -174.04 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.483 ' HB3' ' OD2' ' A' 1513 ' ' ASP . 78.7 p -58.39 -22.76 55.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.6 -29.2 66.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 54.8 m -74.29 134.67 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.294 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.618 ' HB3' ' HB2' ' A' 1602 ' ' MET . 46.2 t-105 -99.07 106.04 18.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.5 mm -107.89 126.6 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.531 ' HG2' ' NH2' ' A' 1530 ' ' ARG . 10.0 tp10 -135.76 117.44 14.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.603 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 58.1 t80 -55.51 126.26 24.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.015 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.406 ' CE2' HD13 ' A' 1646 ' ' LEU . 20.4 t-105 -95.67 112.19 58.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.12 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.845 ' HG3' ' HB3' ' A' 1642 ' ' PHE . 10.8 Cg_endo -53.28 100.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.699 2.266 . . . . 0.0 112.393 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -60.88 -27.34 68.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.769 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -140.25 -169.53 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.004 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.524 HG21 ' N ' ' A' 1640 ' ' GLN . 73.3 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.524 ' N ' HG21 ' A' 1634 ' ' THR . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . 0.406 ' H ' ' CG2' ' A' 1634 ' ' THR . . . -49.98 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.378 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.845 ' HB3' ' HG3' ' A' 1631 ' ' PRO . 74.7 t80 -105.93 -14.97 15.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.083 0.468 . . . . 0.0 110.182 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.582 HD23 ' HG2' ' A' 1631 ' ' PRO . 20.2 mt -63.85 -21.1 66.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.717 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.51 77.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.787 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -84.18 -21.27 31.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.463 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.565 HD12 HD23 ' A' 1643 ' ' LEU . 89.6 mt -77.78 -31.59 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.704 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.48 -36.03 81.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.581 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -66.7 -56.62 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.714 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.53 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 86.1 t80 -55.81 -27.41 51.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.897 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -54.5 -63.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.162 0.506 . . . . 0.0 111.388 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.54 -1.97 56.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.39 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.53 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 15.9 t70 -84.72 -27.64 26.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.996 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.693 HG13 ' HE3' ' A' 1531 ' ' LYS . 20.0 tt -102.2 -27.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.035 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 46.1 t80 -76.43 -48.93 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.82 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 39.4 tp -71.72 -31.64 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.643 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -94.29 -78.02 0.45 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 -179.672 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.93 49.93 5.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.658 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.192 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.611 0.243 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.492 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 39.3 t 48.91 83.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.453 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 127.97 -51.89 0.84 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.842 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 47.99 88.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.521 -0.34 . . . . 0.0 111.38 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.56 ' HE1' ' H ' ' A' 1592 ' ' GLU . 12.1 ptp -99.69 173.37 6.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -104.77 176.37 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.48 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 14.4 mm-40 -62.83 148.17 47.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.27 -75.69 0.08 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.277 0.56 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' 1521 ' ' LEU . 0.4 OUTLIER -121.25 93.41 4.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.925 -179.35 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.48 ' OD1' ' HB3' ' A' 1519 ' ' GLU . 4.0 m-20 -145.34 113.81 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.663 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.459 HD11 ' HB1' ' A' 1641 ' ' ALA . 28.9 mt -79.85 100.42 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.987 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . 0.414 ' H ' ' H ' ' A' 1525 ' ' ILE . 7.6 t -170.23 -18.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.414 ' H ' ' H ' ' A' 1524 ' ' THR . 60.0 mt -92.64 125.08 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . 0.47 ' HB2' ' OG1' ' A' 1529 ' ' THR . 68.7 m -81.68 161.56 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -59.07 -55.76 30.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.702 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.38 -28.97 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.154 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . 0.47 ' OG1' ' HB2' ' A' 1526 ' ' SER . 87.8 m -59.66 -37.09 77.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.43 ' NH2' HD23 ' A' 1646 ' ' LEU . 56.0 mtm180 -83.24 -40.2 19.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' A' 1658 ' ' CYS . 88.9 tttt -65.35 -22.02 66.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.761 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -55.66 -20.35 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.693 HG22 HG13 ' A' 1539 ' ' ILE . 95.5 m -101.65 -27.42 13.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.597 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.517 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -71.14 2.0 5.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.649 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.7 t -129.89 17.1 5.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 111.286 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.2 mtmt -94.65 152.09 39.63 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.27 -44.53 48.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.717 2.278 . . . . 0.0 112.57 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' 1539 ' ' ILE . 11.0 pt-20 -59.5 -22.72 62.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.693 HG13 HG22 ' A' 1533 ' ' THR . 33.6 mm -103.17 111.46 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.11 -58.62 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.447 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.454 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.3 p90 -106.76 159.73 16.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.055 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -148.71 102.37 3.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.404 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.701 ' HB2' HD11 ' A' 1563 ' ' LEU . 1.4 p90 -150.71 177.01 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.047 0.451 . . . . 0.0 112.015 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.431 ' HD2' ' OH ' ' A' 1567 ' ' TYR . 10.2 ptmm? -116.91 140.51 49.38 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.34 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.806 HG12 ' HA ' ' A' 1563 ' ' LEU . 5.7 m -134.22 -174.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.845 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 13.6 t -150.73 124.66 9.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.777 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.446 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 45.0 mm -61.82 143.4 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.803 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 69.8 p -133.55 -24.55 1.77 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.539 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.704 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 37.7 t -153.0 159.68 42.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 111.314 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.9 mt -139.45 130.52 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.887 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 87.5 m -140.82 107.91 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.82 HG13 HG22 ' A' 1557 ' ' VAL . 38.9 t -89.68 133.75 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' 1556 ' ' PHE . 13.0 mm-40 -99.45 -168.32 1.59 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . 0.564 HD22 ' N ' ' A' 1554 ' ' ASN . 0.8 OUTLIER -59.77 -41.43 91.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.023 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 39.9 t -135.79 -55.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.29 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' 1553 ' ' GLU . 90.0 m-85 -81.4 105.01 12.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.82 HG22 HG13 ' A' 1552 ' ' VAL . 32.2 t -69.74 145.09 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.76 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.699 ' HE2' HD12 ' A' 1583 ' ' ILE . 35.2 mmtp -119.98 150.76 40.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.115 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.479 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 95.9 m-85 -139.86 125.67 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.794 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.704 ' HB3' ' HB3' ' A' 1549 ' ' SER . 0.1 OUTLIER -103.59 131.22 50.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -150.48 -173.9 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.372 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.7 m -131.56 131.75 43.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.806 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.8 tp -76.82 107.41 9.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.482 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' 1545 ' ' VAL . 4.2 mm? -66.48 -58.84 4.4 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.647 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 16.8 t70 -141.53 156.58 45.72 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.366 -0.533 . . . . 0.0 112.097 -178.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.577 ' CD1' HD21 ' A' 1563 ' ' LEU . 16.1 mm -104.26 118.27 51.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.586 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.705 ' HD2' HG21 ' A' 1653 ' ' ILE . 56.0 m-85 -99.94 -13.37 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.687 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 87.3 tttt -164.2 112.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.63 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 55.6 m -44.84 148.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.26 0.552 . . . . 0.0 112.177 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.753 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -106.06 151.84 17.05 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.121 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.74 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 13.6 mm-40 -77.56 -2.85 37.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.882 0.372 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -128.31 80.57 1.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.683 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' 1573 ' ' VAL . 5.5 p 35.27 82.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.784 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.753 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -107.23 124.03 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.913 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.723 ' HB3' ' HB3' ' A' 1578 ' ' SER . 29.4 tt0 -134.11 148.4 50.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.688 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.647 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 21.4 ptmt -78.52 48.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.509 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.644 ' HB2' ' O ' ' A' 1576 ' ' LYS . 18.9 t70 164.12 8.82 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.236 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.723 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 28.7 p -72.3 -171.65 0.8 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -101.71 149.77 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.376 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.56 HD12 ' CE2' ' A' 1582 ' ' PHE . 14.7 pt -143.72 145.93 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.041 0.448 . . . . 0.0 111.831 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . 0.401 ' CG2' HG22 ' A' 1618 ' ' ILE . 16.8 m -133.69 99.92 4.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.318 179.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.56 ' CE2' HD12 ' A' 1580 ' ' ILE . 70.7 m-85 -81.54 113.63 19.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.699 HD12 ' HE2' ' A' 1558 ' ' LYS . 4.9 tt -99.26 111.08 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.047 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.439 ' HB2' HD22 ' A' 1621 ' ' LEU . 35.2 ttpt -111.06 152.22 27.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.68 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.558 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 95.0 mttt -86.56 -179.72 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.1 p -91.1 -21.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 79.5 p -74.51 -33.1 62.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.31 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 1.3 m -58.73 107.88 0.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 58.5 m -103.65 -25.68 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.096 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -81.44 -25.06 36.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.453 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -92.11 109.21 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.27 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . 0.56 ' H ' ' HE1' ' A' 1517 ' ' MET . 43.3 mt-10 -132.07 140.89 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.593 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.428 HD11 HD21 ' A' 1621 ' ' LEU . 87.4 mt -126.57 144.07 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.075 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.4 ' CG1' ' HD3' ' A' 1597 ' ' ARG . 46.0 t -110.22 141.41 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.87 106.6 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 121.29 -19.75 8.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.744 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.739 ' HA ' ' HD2' ' A' 1632 ' ' ARG . 10.2 mpt_? -88.52 158.87 18.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.995 0.426 . . . . 0.0 111.443 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -102.03 144.75 30.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.526 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -143.04 157.87 44.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 0.0 111.421 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' 1543 ' ' TYR . 35.5 tp -104.23 120.68 41.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.228 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.575 HD13 HG22 ' A' 1545 ' ' VAL . 2.5 mp -115.34 126.27 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.972 0.415 . . . . 0.0 111.668 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.517 ' SD ' ' HB2' ' A' 1534 ' ' ALA . 25.9 mtm -142.26 118.5 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.055 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' 1539 ' ' ILE . . . -175.86 -177.83 45.2 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.317 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -56.55 155.7 7.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.867 0.365 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.74 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 13.3 pt-20 -57.55 170.05 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.984 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -91.81 116.02 28.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 9.9 mt -90.95 91.87 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.467 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.753 ' HG3' ' H ' ' A' 1618 ' ' ILE . 69.7 mm-40 . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 121.024 0.44 . . . . 0.0 110.903 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.527 ' HA ' ' HB2' ' A' 1608 ' ' GLN . 7.8 m-85 . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 121.463 0.649 . . . . 0.0 112.183 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.753 ' H ' ' HG3' ' A' 1608 ' ' GLN . 2.0 pt -150.73 100.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.812 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.406 ' CE1' HG22 ' A' 1580 ' ' ILE . 60.7 m-85 -57.37 108.94 1.42 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.536 -178.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . 0.621 ' HA ' HG23 ' A' 1583 ' ' ILE . 69.4 Cg_endo -74.08 143.97 33.16 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.659 2.24 . . . . 0.0 112.221 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.548 HD11 ' HB3' ' A' 1582 ' ' PHE . 10.2 mp -103.04 93.33 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.84 177.17 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.668 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 61.1 p -61.0 -15.13 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.7 pp -94.02 14.66 19.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 62.7 m -109.34 119.91 40.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' A' 1601 ' ' ILE . 53.6 t-105 -82.45 110.47 17.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.69 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.8 mt -126.01 115.39 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -123.85 150.54 44.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -83.48 114.01 21.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.443 ' CE2' HD13 ' A' 1646 ' ' LEU . 2.5 t-105 -93.75 115.34 64.98 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.251 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.732 ' HB2' HD11 ' A' 1643 ' ' LEU . 75.9 Cg_exo -49.51 107.23 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.492 2.128 . . . . 0.0 112.432 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.739 ' HD2' ' HA ' ' A' 1597 ' ' ARG . 80.9 mtp180 -50.01 -35.5 24.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.245 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 39.2 t70 -117.05 147.95 41.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.051 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.715 HG22 ' HG ' ' A' 1643 ' ' LEU . 76.4 p . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.45 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.85 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 43.2 mt-30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.904 0.383 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' 1523 ' ' LEU . . . -54.24 -72.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 57.7 t80 -81.5 -21.59 38.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.85 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.7 mm? -72.01 -5.92 38.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -80.94 -43.79 19.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -73.25 -11.73 60.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.69 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' 1643 ' ' LEU . 80.1 mt -87.23 -28.7 22.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.775 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -63.73 -39.19 93.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.42 -50.66 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.764 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.468 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 85.4 t80 -62.33 -30.49 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.07 89.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.385 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -96.64 -4.38 41.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.8 t70 -89.85 -23.36 21.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.705 HG21 ' HD2' ' A' 1567 ' ' TYR . 9.5 tp -97.13 -18.11 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.041 0.448 . . . . 0.0 110.728 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.8 t80 -93.56 -48.1 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.294 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 45.3 tp -79.36 -54.76 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.646 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -76.92 -74.63 0.23 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.182 -179.53 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 72.88 119.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . 0.472 ' HB2' ' HE2' ' A' 1531 ' ' LYS . 42.2 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.737 0.303 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 5.4 p -101.13 24.5 9.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.268 0.556 . . . . 0.0 110.461 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -173.82 -43.8 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.428 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 58.23 97.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.918 0.389 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.424 ' HE2' ' HA ' ' A' 1591 ' ' ALA . 21.6 ptp -96.11 169.53 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . 0.408 ' HB2' ' HG2' ' A' 1628 ' ' GLU . 29.1 mm-40 -98.49 172.42 7.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.76 159.06 26.01 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . 0.679 ' HA ' ' HB3' ' A' 1629 ' ' TYR . 44.6 mt-10 -82.0 -19.33 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.671 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 41.1 mt -150.25 97.79 2.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -137.01 109.78 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.631 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 45.4 mt -86.61 12.46 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.954 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 73.6 p -85.69 -43.53 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.3 mt -74.3 134.87 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 62.9 m -92.12 -176.65 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -74.98 -52.81 10.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -67.22 -21.09 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 72.5 m -66.23 -38.66 88.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -97.22 -3.11 41.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.536 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.1 tmtp? -84.54 -34.3 23.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.5 mm-40 -56.36 -21.86 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.002 0.43 . . . . 0.0 110.525 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.629 HG23 ' HE2' ' A' 1536 ' ' LYS . 82.6 m -80.66 -30.5 36.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.758 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.422 ' O ' ' HE2' ' A' 1568 ' ' LYS . . . -59.7 -52.71 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.187 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.8 t -85.04 8.46 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.674 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 33.4 ttpt -66.93 137.85 94.9 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.588 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . 0.647 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 9.6 Cg_endo -52.04 -53.25 7.28 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.921 2.414 . . . . 0.0 113.034 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.674 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 11.2 pt-20 -59.75 -18.59 44.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 0.0 111.201 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.798 HD12 ' HA2' ' A' 1603 ' ' GLY . 43.3 mm -96.8 140.14 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.842 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -107.56 -67.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.72 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.477 ' HE1' HG22 ' A' 1601 ' ' ILE . 5.4 p90 -103.23 158.69 16.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.182 0.515 . . . . 0.0 111.925 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -146.9 94.12 2.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.304 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.773 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 5.6 p90 -147.37 168.97 20.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 111.753 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.501 ' HG2' ' HE1' ' A' 1567 ' ' TYR . 23.2 ptmt -103.56 144.07 31.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.346 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.896 HG12 ' HA ' ' A' 1563 ' ' LEU . 18.9 m -140.92 -176.3 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.484 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.4 ' CB ' HD11 ' A' 1564 ' ' LEU . 15.1 t -147.83 129.94 15.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.834 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 42.5 mm -63.14 124.45 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . 0.466 ' O ' ' HE3' ' A' 1595 ' ' LYS . 73.4 p -111.75 -13.18 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.63 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.715 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 35.1 t -169.28 157.83 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.989 0.424 . . . . 0.0 111.321 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.44 HG12 ' HD1' ' A' 1559 ' ' TYR . 76.3 mt -136.34 103.69 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.801 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.8 m -91.59 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.0 p -96.17 132.57 40.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.013 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' 1556 ' ' PHE . 43.8 mt-10 -117.6 -166.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.27 -56.31 23.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.143 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 38.6 t -122.66 -45.5 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.381 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' 1553 ' ' GLU . 93.1 m-85 -85.23 168.93 14.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 111.12 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 69.9 t -143.27 144.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.621 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.502 ' HG2' ' CD1' ' A' 1583 ' ' ILE . 87.5 mttt -123.99 109.96 14.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.07 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.586 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 96.4 m-85 -88.5 107.55 18.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.715 ' HB3' ' HB3' ' A' 1549 ' ' SER . 22.3 tptm -84.88 120.31 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.468 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -141.24 163.73 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.053 0.454 . . . . 0.0 111.662 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.6 m -110.65 144.38 39.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.773 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.896 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.3 tt -77.62 119.54 21.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.172 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.572 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.0 mp -74.54 -48.93 24.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.783 0.325 . . . . 0.0 111.03 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.1 t70 -167.86 141.6 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.773 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.3 mt -96.96 129.95 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.066 0.46 . . . . 0.0 112.119 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.501 ' HE1' ' HG2' ' A' 1544 ' ' LYS . 48.3 m-85 -106.1 -15.92 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.125 178.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.646 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 61.7 tttp -153.42 112.49 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.749 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 72.5 m -45.41 146.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.153 0.501 . . . . 0.0 112.033 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.828 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -100.61 131.61 10.63 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.275 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -58.25 -27.95 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.68 42.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.502 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 71.1 t 56.56 91.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.321 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.828 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -114.63 136.72 52.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.672 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -138.96 149.35 44.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.096 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' 1576 ' ' LYS . 1.7 tmtp? -52.61 119.08 4.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.303 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.699 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 62.83 69.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 22.8 t -111.97 -166.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.411 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -110.8 135.92 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.697 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.606 HD12 ' HE1' ' A' 1582 ' ' PHE . 18.3 pt -141.38 143.11 28.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.618 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 6.2 m -127.79 105.85 8.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.657 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.606 ' HE1' HD12 ' A' 1580 ' ' ILE . 64.3 m-85 -80.4 104.27 10.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.075 0.464 . . . . 0.0 111.219 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.502 ' CD1' ' HG2' ' A' 1558 ' ' LYS . 1.1 mm -81.97 120.3 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.26 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.586 ' HB2' HD23 ' A' 1621 ' ' LEU . 34.1 ttpt -142.76 157.92 44.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.043 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -91.86 -176.55 4.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 13.8 p -100.51 -9.19 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.5 p -71.35 -25.41 62.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.477 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.9 m -60.24 167.99 2.19 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.017 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 28.4 m -154.33 -17.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.748 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' 1517 ' ' MET . 36.0 m-80 -110.06 -13.56 14.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.185 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.424 ' HA ' ' HE2' ' A' 1517 ' ' MET . . . -103.23 39.64 1.54 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -100.23 111.18 23.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' 1593 ' ' LEU . 3.4 mp -95.89 158.68 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 49.6 t -104.75 146.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' 1548 ' ' THR . 86.9 tttt -81.58 141.52 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 93.4 -12.69 69.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.779 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.697 ' HD3' ' HE2' ' A' 1629 ' ' TYR . 93.0 mtt180 -99.64 171.9 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.432 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.542 ' HG3' ' HD2' ' A' 1632 ' ' ARG . 27.1 mt-30 -111.88 133.46 54.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -135.06 141.62 46.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.314 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 61.0 tp -78.29 140.44 38.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.149 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.477 HG22 ' HE1' ' A' 1541 ' ' TYR . 47.9 mm -128.93 121.4 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.105 0.478 . . . . 0.0 111.755 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.413 ' O ' ' HB3' ' A' 1626 ' ' TRP . 74.0 mtp -145.68 109.0 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.001 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.798 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -174.69 -172.94 40.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 119.875 -1.155 . . . . 0.0 113.646 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.475 ' HZ3' ' HG2' ' A' 1605 ' ' GLU . 27.8 tptp -53.44 157.37 2.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.45 -0.375 . . . . 0.0 111.277 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.623 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.7 pt-20 -71.22 -174.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.44 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -93.85 -177.22 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.0 mt -93.36 -168.93 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.432 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 33.7 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.432 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 29.6 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.682 0.277 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.511 ' O ' HD12 ' A' 1618 ' ' ILE . 2.6 pp -52.37 146.05 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.489 ' CE1' HG22 ' A' 1580 ' ' ILE . 56.1 m-85 -97.5 122.72 54.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.816 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.59 -174.49 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.523 2.149 . . . . 0.0 112.204 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' 1584 ' ' LYS . 44.3 tp -159.2 95.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.776 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.522 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.8 m-20 -122.83 -176.54 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 75.2 p -63.66 -17.35 62.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.95 10.75 10.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.836 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.508 HG22 HG13 ' A' 1627 ' ' ILE . 36.7 m -100.4 106.79 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.413 ' HB3' ' O ' ' A' 1602 ' ' MET . 59.2 t-105 -78.1 104.13 8.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.777 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.508 HG13 HG22 ' A' 1625 ' ' THR . 66.0 mt -120.83 141.48 41.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.085 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' 1518 ' ' GLN . 47.6 mt-10 -138.81 -176.81 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.697 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 63.5 t80 -114.37 135.28 54.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.68 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -106.27 100.78 31.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.723 ' HB2' HD21 ' A' 1643 ' ' LEU . 52.8 Cg_exo -52.73 110.54 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.608 2.205 . . . . 0.0 112.414 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.542 ' HD2' ' HG3' ' A' 1598 ' ' GLN . 74.0 mtp180 -81.22 -5.39 57.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -100.6 115.46 30.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.797 ' HA ' HD23 ' A' 1643 ' ' LEU . 11.8 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.771 0.319 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.55 96.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 71.9 t80 -65.56 -32.82 74.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.797 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -73.07 -32.39 64.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . 0.406 ' HA ' ' OD2' ' A' 1647 ' ' ASP . . . -59.32 -48.53 81.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -73.27 -4.99 36.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 51.9 tp -99.58 -25.87 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . 0.406 ' OD2' ' HA ' ' A' 1644 ' ' ALA . 45.7 m-20 -59.71 -41.47 90.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.652 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.68 -28.04 68.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.652 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.441 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 73.4 t80 -79.84 -33.01 40.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -62.26 -24.58 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.411 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -102.7 -35.81 8.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.941 0.401 . . . . 0.0 111.013 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' A' 1656 ' ' ASN . 20.2 t70 -62.9 -11.4 18.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.291 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' 1649 ' ' PHE . 9.3 tp -106.05 -30.86 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 111.193 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 50.6 t80 -93.68 -55.34 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' 1655 ' ' LEU . 1.6 tm? -66.03 -43.95 86.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.332 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.599 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -89.71 -70.9 0.64 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.246 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.89 174.73 37.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.886 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.535 0.207 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' 1589 ' ' THR . 31.6 p -46.64 141.58 3.71 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 42.89 40.1 3.95 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.131 -1.033 . . . . 0.0 111.161 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -32.16 112.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.87 -0.665 . . . . 0.0 112.056 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.584 ' H ' HD21 ' A' 1590 ' ' ASN . 24.5 mmt -97.09 -168.16 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.53 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -136.31 165.82 24.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.76 139.92 55.61 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -66.12 -23.3 66.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 70.0 mt -149.57 99.83 2.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -120.47 119.04 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.746 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 54.4 mt -106.08 4.52 29.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 70.7 p -92.67 -26.22 17.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.7 mt -80.89 129.43 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.8 m -82.86 163.41 21.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -68.72 -21.9 64.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.0 mt-10 -88.4 -28.94 20.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 64.4 m -62.55 -44.01 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' 1530 ' ' ARG . 4.4 ptp180 -76.41 -9.42 58.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.683 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 22.8 tptm -91.56 -26.19 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.0 mm-40 -59.03 -17.41 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.988 0.423 . . . . 0.0 110.465 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.773 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 71.1 m -93.42 -28.33 16.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.683 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -68.82 -41.27 78.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.514 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 31.2 t -70.36 -5.52 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.773 ' HE2' ' HA ' ' A' 1533 ' ' THR . 49.9 mtmt -79.95 142.5 56.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.978 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 32.3 Cg_exo -58.39 -28.2 84.17 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.732 2.288 . . . . 0.0 112.317 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.88 -30.94 69.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.879 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -99.15 120.36 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -93.92 -59.1 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.962 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.46 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -105.78 167.5 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.426 0.631 . . . . 0.0 112.36 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -156.07 114.78 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.438 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.709 ' HB2' HD11 ' A' 1563 ' ' LEU . 0.8 OUTLIER -167.22 171.02 11.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 112.088 -179.308 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.468 ' HE2' ' CD2' ' A' 1630 ' ' TRP . 15.0 ttmt -106.27 124.37 49.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.601 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' 1563 ' ' LEU . 30.4 m -114.76 177.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.348 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.454 ' HB3' HD11 ' A' 1564 ' ' LEU . 80.6 p -146.17 116.01 7.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.045 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.437 HD13 ' HB2' ' A' 1561 ' ' ALA . 39.6 mm -55.67 142.69 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.726 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . 0.41 ' O ' ' HE3' ' A' 1595 ' ' LYS . 61.6 p -130.46 -34.36 1.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.77 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 75.3 m -147.48 146.92 29.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 111.533 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.1 mt -129.67 138.58 53.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 68.5 m -151.28 136.9 17.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.235 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.743 HG23 HG22 ' A' 1557 ' ' VAL . 5.1 p -115.25 137.77 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -139.7 119.65 13.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 59.81 -84.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.11 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' 1556 ' ' PHE . 5.0 m -131.24 -48.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' A' 1584 ' ' LYS . 96.3 m-85 -69.83 120.69 15.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.743 HG22 HG23 ' A' 1552 ' ' VAL . 30.7 t -98.0 116.36 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.747 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.6 OUTLIER -83.94 150.32 25.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -137.7 101.34 4.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -82.43 111.13 18.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.467 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.437 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -114.62 -178.3 3.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.489 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 10.0 m -136.3 114.75 11.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.73 HD21 HG12 ' A' 1566 ' ' ILE . 16.4 tp -60.63 103.83 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' 1545 ' ' VAL . 74.0 mt -61.04 -41.06 95.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.226 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.472 ' O ' HD11 ' A' 1563 ' ' LEU . 20.8 t70 -168.97 150.45 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.73 HG12 HD21 ' A' 1563 ' ' LEU . 54.6 mt -90.44 142.52 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 121.149 0.5 . . . . 0.0 112.009 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.507 ' HB2' ' O ' ' A' 1542 ' ' ALA . 42.0 m-85 -121.42 -13.49 8.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.14 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.6 tttp -168.79 109.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.429 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 26.3 m -42.29 143.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.213 0.53 . . . . 0.0 112.288 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.796 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -100.86 126.4 8.91 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.33 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -59.04 -24.68 63.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.785 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -91.07 43.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.628 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.5 t 58.34 92.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.215 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.796 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -125.01 129.35 50.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.602 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.591 ' O ' HD23 ' A' 1563 ' ' LEU . 43.2 mt-10 -136.33 152.93 51.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.522 ' N ' HD11 ' A' 1566 ' ' ILE . 61.3 tttm -60.93 129.71 42.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.981 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.7 t70 62.02 43.87 8.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.179 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 45.0 m -90.95 -176.81 4.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.661 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -122.39 119.63 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.616 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.748 HD13 ' H ' ' A' 1580 ' ' ILE . 0.2 OUTLIER -130.94 160.32 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.395 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 20.2 m -123.03 133.53 54.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' 1619 ' ' TYR . 36.5 m-85 -117.44 114.62 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.747 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.8 pt -98.87 152.46 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.367 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.778 ' HB3' HD12 ' A' 1621 ' ' LEU . 60.8 pttt -142.71 -172.23 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.563 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -124.01 135.03 53.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 19.6 m -65.84 -11.94 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.2 p -88.3 2.94 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 11.0 t -88.67 124.29 33.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . 0.48 ' N ' ' SG ' ' A' 1514 ' ' CYS . 20.8 m -113.5 65.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.957 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.584 HD21 ' H ' ' A' 1517 ' ' MET . 5.5 t30 -175.16 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -84.39 131.56 34.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.003 0.43 . . . . 0.0 111.5 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . 0.441 ' H ' ' HE3' ' A' 1517 ' ' MET . 27.8 mm-40 -141.06 138.81 33.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.775 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 97.0 mt -135.75 121.29 19.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 67.5 t -99.01 142.43 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' 1548 ' ' THR . 87.2 tttt -69.28 141.13 54.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 58.63 66.1 3.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.57 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.445 ' HB3' ' CE2' ' A' 1599 ' ' TYR . 32.3 ttt180 -151.85 150.93 30.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.66 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -87.19 116.67 25.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.481 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' 1597 ' ' ARG . 49.0 m-85 -130.06 123.85 31.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.062 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.896 ' HB3' ' HB2' ' A' 1628 ' ' GLU . 55.0 tp -82.41 122.44 28.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.427 HD13 ' CZ ' ' A' 1582 ' ' PHE . 85.6 mt -117.17 138.19 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.025 0.441 . . . . 0.0 111.643 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.589 ' HG2' HG21 ' A' 1539 ' ' ILE . 57.9 ttp -154.9 128.23 8.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.403 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.879 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 161.47 -158.27 30.02 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.472 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 27.1 tptp -43.75 154.12 0.11 Allowed 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 122.75 0.42 . . . . 0.0 111.654 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 10.3 pt-20 -82.1 55.7 2.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.487 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . 53.62 -167.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.964 0.411 . . . . 0.0 111.647 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 25.7 tp -98.7 164.5 12.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.599 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.407 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 35.8 tt0 . . . . . 0 C--N 1.331 -0.227 0 CA-C-O 120.842 0.353 . . . . 0.0 111.321 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 3.2 m-85 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.825 0.345 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.613 HD12 HD13 ' A' 1583 ' ' ILE . 41.8 pt -105.85 130.06 57.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' 1582 ' ' PHE . 2.8 m-85 -72.77 115.13 36.78 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.235 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.23 -172.19 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.728 2.285 . . . . 0.0 112.399 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.778 HD12 ' HB3' ' A' 1584 ' ' LYS . 83.5 mt -143.74 99.79 3.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.729 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -123.1 -171.61 2.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.7 p -80.48 0.86 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.6 pp -95.3 -34.9 12.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.463 ' O ' HG12 ' A' 1627 ' ' ILE . 39.0 m -59.14 97.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.172 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -60.33 105.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.796 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' 1625 ' ' THR . 50.6 mm -101.97 142.68 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.0 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.896 ' HB2' ' HB3' ' A' 1600 ' ' LEU . 20.8 mm-40 -141.52 158.91 43.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 48.3 t80 -107.46 132.29 53.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.586 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.468 ' CD2' ' HE2' ' A' 1544 ' ' LYS . 4.4 t-105 -107.88 103.42 49.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.797 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.616 ' HB2' HD13 ' A' 1643 ' ' LEU . 72.0 Cg_exo -49.37 117.77 3.15 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.641 2.228 . . . . 0.0 112.263 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -77.8 5.25 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.222 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -140.07 179.23 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.383 . . . . 0.0 111.22 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 57.4 p . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.061 179.886 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.826 0.346 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.28 70.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.212 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.496 ' HE2' HD22 ' A' 1646 ' ' LEU . 55.6 t80 -87.94 -33.92 18.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' 1631 ' ' PRO . 1.1 tp -70.1 -11.98 61.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -93.35 -31.89 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -87.25 -20.08 27.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.496 HD22 ' HE2' ' A' 1642 ' ' PHE . 62.3 tp -91.29 -24.02 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.09 -34.81 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.785 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -63.81 -37.29 86.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.759 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.452 ' O ' HG22 ' A' 1653 ' ' ILE . 89.3 t80 -76.81 -27.96 55.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -61.86 -23.38 66.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.278 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -115.93 -3.58 12.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.037 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.706 ' HA ' HD22 ' A' 1656 ' ' ASN . 20.5 t70 -90.68 -10.62 42.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.516 HD11 ' HD2' ' A' 1568 ' ' LYS . 6.9 tp -108.27 -30.6 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.037 0.446 . . . . 0.0 110.788 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 38.1 t80 -84.67 -46.83 11.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.992 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.36 -63.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.715 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.706 HD22 ' HA ' ' A' 1652 ' ' ASP . 20.3 m-80 -63.93 -72.45 0.14 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.404 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 68.71 162.03 2.46 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.401 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 38.9 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.893 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.614 0.245 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.552 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 8.2 t 52.1 92.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.305 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . 80.67 42.79 9.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.707 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -47.81 130.77 14.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.377 -0.411 . . . . 0.0 111.207 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 85.0 mtp -118.1 166.19 12.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -94.14 153.86 17.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.68 167.14 13.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -99.19 120.53 39.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.2 mt 57.01 90.33 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' 1524 ' ' THR . 7.5 p-10 -148.27 83.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.884 ' H ' HD22 ' A' 1523 ' ' LEU . 0.5 OUTLIER -59.8 98.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . 0.433 HG22 ' O ' ' A' 1522 ' ' ASP . 7.5 t -173.81 -18.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.407 ' H ' ' H ' ' A' 1524 ' ' THR . 61.2 mt -88.69 135.38 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.5 t -81.73 150.86 27.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.37 59.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -73.49 -36.88 65.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 63.1 m -59.51 -33.35 71.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.553 HH22 HD12 ' A' 1646 ' ' LEU . 55.5 mtm180 -81.92 -40.4 22.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.569 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.5 tmtp? -58.79 -41.34 86.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.695 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.2 mm-40 -51.74 -29.41 18.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.67 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.717 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 59.3 m -70.43 -38.32 74.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.428 ' HB2' ' HE3' ' A' 1602 ' ' MET . . . -69.02 -25.64 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.986 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 42.3 t -85.34 -14.08 47.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.717 ' HE3' ' HA ' ' A' 1533 ' ' THR . 97.8 mttt -58.03 150.37 51.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.23 -4.36 12.56 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.457 2.105 . . . . 0.0 112.202 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -92.02 -71.28 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.702 HG13 HG22 ' A' 1533 ' ' THR . 43.6 mm -48.63 147.48 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.55 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.495 ' N ' ' HA ' ' A' 1604 ' ' LYS . . . -119.73 -70.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.638 ' HA ' ' O ' ' A' 1568 ' ' LYS . 8.7 p90 -89.63 144.37 26.05 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.628 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -155.49 108.79 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.77 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER -175.64 -123.81 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.636 178.083 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.644 ' HD3' HE21 ' A' 1598 ' ' GLN . 39.1 ttmt -135.95 147.52 48.11 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.431 0.634 . . . . 0.0 112.242 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.652 ' HA ' ' H ' ' A' 1564 ' ' LEU . 3.6 m -144.01 168.61 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.058 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 31.3 t -138.15 118.99 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 111.409 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 45.9 mm -57.45 135.71 21.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.715 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 75.6 p -111.16 -43.8 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.626 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 66.7 m -151.37 161.33 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.033 0.444 . . . . 0.0 111.471 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 78.4 mt -127.93 98.68 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.693 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 85.3 m -81.89 122.51 27.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.326 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 89.7 t -111.93 122.98 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.745 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -109.25 -73.59 0.68 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.031 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 44.6 t30 -167.88 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' 1586 ' ' VAL . 62.1 t -95.17 -21.39 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' 1584 ' ' LYS . 89.9 m-85 -126.49 108.29 11.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.768 HG23 HG12 ' A' 1586 ' ' VAL . 86.6 t -93.37 115.3 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.776 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.854 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.7 OUTLIER -85.71 144.76 27.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 -179.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -127.16 99.54 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.603 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -79.66 137.79 37.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -151.84 176.3 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.198 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 51.8 m -123.58 111.85 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.995 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.67 HD21 ' CG1' ' A' 1566 ' ' ILE . 14.6 tp -64.98 101.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.515 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.652 ' H ' ' HA ' ' A' 1545 ' ' VAL . 10.8 mp -56.14 -66.53 0.42 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.875 0.369 . . . . 0.0 111.97 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.77 ' O ' ' HB3' ' A' 1543 ' ' TYR . 8.2 m-20 -139.14 168.47 19.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.67 ' CG1' HD21 ' A' 1563 ' ' LEU . 10.1 mm -136.04 113.07 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.686 0.616 . . . . 0.0 112.428 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' 1542 ' ' ALA . 20.1 m-85 -75.88 -45.95 32.81 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' 1541 ' ' TYR . 55.4 tttm -123.05 124.23 42.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.142 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . 0.797 HG22 ' H ' ' A' 1571 ' ' GLU . 26.9 m -51.66 141.27 16.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.59 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.747 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -80.04 1.23 80.7 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.834 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.797 ' H ' HG22 ' A' 1569 ' ' THR . 44.9 mt-10 58.8 9.74 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.589 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -147.34 80.32 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' 1573 ' ' VAL . 21.3 t 46.05 45.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.372 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.747 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -104.31 134.38 47.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.672 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.61 ' HG2' ' HB3' ' A' 1578 ' ' SER . 11.2 pt-20 -167.06 152.85 7.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' 1565 ' ' ASP . 21.7 ptmt -56.09 128.75 36.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' 1563 ' ' LEU . 12.7 t70 69.14 41.19 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.234 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.61 ' HB3' ' HG2' ' A' 1575 ' ' GLU . 85.3 p -104.04 -165.29 1.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.63 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -112.23 138.23 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.638 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.683 HD12 ' HE1' ' A' 1582 ' ' PHE . 32.6 pt -139.24 152.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.391 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 35.6 m -146.39 118.7 8.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.683 ' HE1' HD12 ' A' 1580 ' ' ILE . 92.7 m-85 -108.67 117.7 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.854 HG22 ' HG3' ' A' 1558 ' ' LYS . 50.9 pt -100.28 147.52 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.764 ' HE2' ' HA ' ' A' 1586 ' ' VAL . 6.3 ttpm? -131.17 155.05 47.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.763 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' 1586 ' ' VAL . 50.6 mtpt -92.0 22.09 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.768 HG12 HG23 ' A' 1557 ' ' VAL . 2.3 m 48.68 18.42 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.976 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . 0.541 HG23 ' O ' ' A' 1585 ' ' LYS . 47.2 p -93.52 -31.51 14.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.344 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.652 ' HB2' ' HD2' ' A' 1584 ' ' LYS . 73.6 m -62.91 153.34 33.77 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.225 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 59.0 m -128.52 -28.32 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.055 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 7.0 t30 -88.89 -28.78 20.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.518 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -77.72 106.06 9.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.195 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -134.44 120.28 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.7 mt -98.48 170.63 8.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 78.6 t -132.09 133.09 60.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -67.72 132.58 47.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 64.64 75.62 0.37 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.706 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.551 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 31.4 ttm180 -169.91 143.1 2.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.644 HE21 ' HD3' ' A' 1544 ' ' LYS . 28.9 mt-30 -83.52 122.29 28.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.386 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.551 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 57.6 m-85 -128.18 142.9 51.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.367 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' 1543 ' ' TYR . 26.2 tp -80.69 125.48 30.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.659 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.555 HD12 HG21 ' A' 1545 ' ' VAL . 30.4 mt -127.47 134.34 65.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.469 0.652 . . . . 0.0 112.532 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.561 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 79.1 mtp -140.57 93.36 2.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.337 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . -133.36 157.63 22.81 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.451 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.495 ' HA ' ' N ' ' A' 1540 ' ' ALA . 0.0 OUTLIER -64.0 -174.84 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.04 0.448 . . . . 0.0 111.876 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.589 ' HG3' ' HB2' ' A' 1572 ' ' ALA . 35.6 tt0 -69.1 157.93 35.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.011 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.457 ' C ' HD22 ' A' 1607 ' ' LEU . . . -75.03 -177.86 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' 1607 ' ' LEU . 3.0 mm? -120.99 123.92 43.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.47 179.627 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.669 0.271 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.502 HD12 HD13 ' A' 1583 ' ' ILE . 44.0 pt -60.72 141.83 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.709 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' 1582 ' ' PHE . 57.1 m-85 -90.44 132.16 36.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.179 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.32 -165.06 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.627 2.218 . . . . 0.0 112.223 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.644 HD23 ' HB2' ' A' 1584 ' ' LYS . 53.0 tp -152.65 101.34 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.533 ' O ' ' HA2' ' A' 1515 ' ' GLY . 10.0 m-20 -130.55 -170.0 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 62.6 p -74.0 -30.5 62.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.785 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.518 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.5 pt? -66.14 -13.74 60.66 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 110.82 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.434 HG22 HG13 ' A' 1627 ' ' ILE . 73.0 m -68.94 115.39 8.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.561 ' HB3' ' HB2' ' A' 1602 ' ' MET . 62.5 t-105 -83.68 113.8 21.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.554 ' HA ' ' O ' ' A' 1600 ' ' LEU . 68.0 mt -131.13 129.83 63.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -148.95 118.67 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.445 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 74.9 t80 -50.46 138.0 18.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.443 ' CZ3' HD23 ' A' 1646 ' ' LEU . 9.9 t-105 -106.19 117.02 58.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.99 114.67 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.684 2.256 . . . . 0.0 112.618 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -60.42 -33.12 72.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -134.8 -169.28 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.022 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.713 HG22 HD12 ' A' 1643 ' ' LEU . 69.8 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.256 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.649 ' HB2' ' HB ' ' A' 1634 ' ' THR . 33.9 tt0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.361 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.09 -21.76 61.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.299 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.45 ' O ' HD13 ' A' 1646 ' ' LEU . 34.4 t80 -84.03 -42.86 15.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.713 HD12 HG22 ' A' 1634 ' ' THR . 80.3 mt -73.88 3.03 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.21 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.62 -28.7 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.636 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -89.75 -39.36 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.566 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.553 HD12 HH22 ' A' 1530 ' ' ARG . 8.3 mp -70.61 -22.24 62.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.62 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.45 -45.64 91.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.18 -42.79 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.636 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.518 ' O ' HG22 ' A' 1653 ' ' ILE . 70.3 t80 -57.68 -35.71 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.812 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.66 -64.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.201 0.524 . . . . 0.0 111.463 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -69.73 -3.27 14.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.683 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -85.29 -72.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.547 HD13 ' HE3' ' A' 1531 ' ' LYS . 5.2 tp -57.43 -30.85 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 63.3 t80 -69.89 -53.59 17.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.6 tt -84.07 -68.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.647 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -60.81 -74.74 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.195 -179.684 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.489 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.88 128.99 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.518 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.746 ' HB3' HD22 ' A' 1590 ' ' ASN . 4.5 p-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.839 0.352 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.509 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 19.2 p -110.38 29.54 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.296 0.57 . . . . 0.0 110.315 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.706 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 152.2 73.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.148 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -51.38 103.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.836 0.351 . . . . 0.0 110.949 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 64.9 mtt -83.31 146.32 28.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.11 158.03 36.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.677 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 45.6 mt-10 -61.81 149.99 38.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.74 134.22 34.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 95.5 mt 58.44 19.09 6.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.264 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.677 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 30.0 t70 -64.41 100.6 0.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.433 HD23 ' HD1' ' A' 1642 ' ' PHE . 64.3 mt -93.4 92.8 7.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.217 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.9 t -178.05 -8.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.051 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.22 143.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 81.2 p -83.96 -179.91 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -99.2 0.49 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -98.02 -19.83 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.008 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 56.1 m -76.08 -33.22 59.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.414 ' NH1' HD23 ' A' 1646 ' ' LEU . 4.6 ptp180 -95.85 14.38 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' 1531 ' ' LYS . 7.3 tmtm? -119.91 -52.41 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -59.81 -26.04 65.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.69 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 45.3 m -81.97 -24.05 35.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.75 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.49 ' HB1' ' HD3' ' A' 1568 ' ' LYS . . . -64.43 -46.04 84.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . 0.724 ' HA ' ' HE2' ' A' 1568 ' ' LYS . 38.1 t -90.36 5.49 47.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.723 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.69 ' HE2' ' HA ' ' A' 1533 ' ' THR . 24.3 ttmm -61.07 138.76 94.31 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.769 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.76 -22.02 16.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.596 2.198 . . . . 0.0 112.416 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.515 ' H ' ' HG2' ' A' 1536 ' ' LYS . 40.2 tt0 -83.01 -31.2 27.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.897 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -97.37 117.26 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.006 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -82.36 -51.42 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.375 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.925 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.1 p90 -115.43 155.48 27.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.401 0.62 . . . . 0.0 112.199 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' 1568 ' ' LYS . . . -144.86 104.51 4.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.517 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.69 ' HB2' ' O ' ' A' 1565 ' ' ASP . 0.6 OUTLIER -155.27 -175.75 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.117 0.484 . . . . 0.0 112.231 -178.68 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.579 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 19.9 ptpt -119.05 139.38 51.83 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.641 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' 1563 ' ' LEU . 16.0 m -139.29 175.83 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.183 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.425 ' HB2' HD11 ' A' 1564 ' ' LEU . 11.2 t -146.02 124.28 12.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.729 HD13 ' HB2' ' A' 1561 ' ' ALA . 37.3 mm -62.8 144.89 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.684 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 82.3 p -131.55 -41.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.576 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 42.4 t -131.81 160.66 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.975 0.417 . . . . 0.0 111.329 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 73.0 mt -134.31 114.54 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.748 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . 0.486 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 70.8 m -102.05 136.69 41.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.244 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 5.2 p -132.58 132.05 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.768 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -133.8 -54.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.976 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 7.4 p30 -145.22 -153.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.614 HG13 HG22 ' A' 1586 ' ' VAL . 52.4 t -53.54 -19.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.561 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.52 106.25 17.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' 1558 ' ' LYS . 31.8 t -81.54 155.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.616 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.779 ' HG2' HG22 ' A' 1583 ' ' ILE . 90.7 mttt -131.29 152.79 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 111.01 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -138.97 120.8 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.518 ' HB2' ' NZ ' ' A' 1560 ' ' LYS . 0.1 OUTLIER -97.18 106.81 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.226 179.52 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.729 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -118.07 170.79 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 111.641 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 8.2 m -114.38 135.29 54.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.974 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.928 ' HA ' HG12 ' A' 1545 ' ' VAL . 9.7 tp -77.46 95.5 4.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.4 mp -50.72 -50.76 54.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.565 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.69 ' O ' ' HB2' ' A' 1543 ' ' TYR . 12.8 t70 -164.58 154.77 14.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.871 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.788 HG12 HD21 ' A' 1563 ' ' LEU . 48.6 mt -104.88 125.93 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.538 ' HB2' ' O ' ' A' 1542 ' ' ALA . 83.7 m-85 -104.69 -23.62 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.724 ' HE2' ' HA ' ' A' 1535 ' ' CYS . 27.5 mtpp -149.49 122.67 8.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.437 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . 0.586 HG22 ' H ' ' A' 1571 ' ' GLU . 4.5 m -45.96 155.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.127 0.489 . . . . 0.0 112.062 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.925 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -103.81 6.17 47.87 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.011 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.586 ' H ' HG22 ' A' 1569 ' ' THR . 14.0 mm-40 59.2 7.79 0.95 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.978 0.418 . . . . 0.0 110.737 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -138.76 81.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.542 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.452 ' O ' HG22 ' A' 1573 ' ' VAL . 7.3 p 41.17 39.93 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.847 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.594 ' HB1' HD13 ' A' 1566 ' ' ILE . . . -59.01 128.61 38.1 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.222 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.528 ' HB3' ' OG ' ' A' 1578 ' ' SER . 9.1 tp10 -142.07 156.4 45.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.973 0.416 . . . . 0.0 111.339 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -67.72 122.83 18.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.416 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.645 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.1 t70 63.96 51.21 2.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.05 0.452 . . . . 0.0 110.782 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.571 ' H ' ' HB3' ' A' 1563 ' ' LEU . 69.0 m -87.11 -170.22 2.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.599 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . 0.438 ' CD ' ' HD2' ' A' 1560 ' ' LYS . 9.0 tp10 -115.69 115.24 26.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.565 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.619 HD13 HG11 ' A' 1545 ' ' VAL . 37.4 pt -111.05 153.01 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.684 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.1 m -141.4 99.34 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.735 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.581 ' HE1' HD12 ' A' 1580 ' ' ILE . 56.9 m-85 -94.3 125.48 38.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 111.271 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.779 HG22 ' HG2' ' A' 1558 ' ' LYS . 42.0 pt -112.33 147.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.763 ' HB3' HD23 ' A' 1621 ' ' LEU . 21.8 pttm -145.72 -171.19 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -104.51 -177.03 3.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.643 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.614 HG22 HG13 ' A' 1555 ' ' VAL . 29.1 m -105.18 9.58 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.1 p -98.66 -0.93 41.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 13.6 m -60.97 153.88 23.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 58.3 m -138.28 -29.9 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.746 HD22 ' HB3' ' A' 1513 ' ' ASP . 37.0 m-80 -108.8 0.43 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -121.42 111.92 17.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -149.94 105.54 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.758 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' 1593 ' ' LEU . 4.0 mp -91.13 158.83 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.47 HG12 ' OH ' ' A' 1599 ' ' TYR . 9.9 p -142.76 140.03 27.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 22.9 pttm -71.17 136.6 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 108.15 -22.64 26.88 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.678 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -99.37 169.83 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.977 0.418 . . . . 0.0 111.346 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -109.39 145.57 35.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.716 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.47 ' OH ' HG12 ' A' 1594 ' ' VAL . 98.1 m-85 -143.5 144.2 31.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.009 0.433 . . . . 0.0 111.415 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' 1601 ' ' ILE . 5.2 tt -95.12 134.68 37.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.746 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.623 ' N ' HD23 ' A' 1600 ' ' LEU . 69.3 mt -127.91 132.85 68.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.088 0.471 . . . . 0.0 112.19 -179.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.681 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 66.3 mtp -149.6 110.65 4.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.064 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.897 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.59 -164.27 31.24 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 119.803 -1.189 . . . . 0.0 113.681 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.508 ' HE3' ' HG3' ' A' 1538 ' ' GLU . 34.1 mmtp -46.25 157.09 0.14 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 122.545 0.338 . . . . 0.0 111.565 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -69.23 -171.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.201 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . -104.65 140.34 38.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' 1617 ' ' TYR . 89.0 mt -66.41 147.73 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.606 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 -179.835 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1607 ' ' LEU . 2.3 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.814 0.34 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.462 ' O ' ' HB1' ' A' 1606 ' ' ALA . 2.8 pp -117.02 177.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.556 ' O ' ' HA ' ' A' 1582 ' ' PHE . 57.1 m-85 -128.09 128.72 23.73 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.191 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.44 157.72 22.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.666 2.244 . . . . 0.0 112.166 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.763 HD23 ' HB3' ' A' 1584 ' ' LYS . 48.7 tp -132.7 92.76 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.699 ' HB2' HD12 ' A' 1624 ' ' LEU . 10.2 m-20 -121.7 -167.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.706 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 77.5 p -78.8 -23.16 45.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.849 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.699 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -76.13 -8.6 57.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 -179.746 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.639 ' N ' HD13 ' A' 1624 ' ' LEU . 60.5 m -84.24 112.36 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.187 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.681 ' HB3' ' HB2' ' A' 1602 ' ' MET . 57.9 t-105 -64.28 119.72 10.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.746 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' 1600 ' ' LEU . 45.5 mm -126.81 120.58 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -134.95 115.27 13.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -54.05 134.23 43.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.745 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.434 ' CD1' HD11 ' A' 1643 ' ' LEU . 13.5 t-105 -106.03 101.77 35.74 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.646 ' HB2' HD13 ' A' 1643 ' ' LEU . 72.9 Cg_exo -48.7 118.86 3.69 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.679 2.252 . . . . 0.0 112.599 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -91.7 -0.1 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -97.94 128.49 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.312 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.795 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -58.33 -28.1 64.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.541 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 52.9 t80 -88.44 -30.84 19.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.759 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.768 HD12 HD12 ' A' 1646 ' ' LEU . 1.1 tp -75.91 -6.11 49.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -81.4 -33.45 32.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -80.2 -28.46 38.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.444 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.768 HD12 HD12 ' A' 1643 ' ' LEU . 95.9 mt -70.68 -31.02 67.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.527 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.16 -36.64 80.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.15 -49.4 77.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.604 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' 1653 ' ' ILE . 62.3 t80 -63.77 -34.96 79.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.765 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.97 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.208 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -103.69 -4.5 23.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.7 t70 -89.26 -18.21 27.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.96 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' 1649 ' ' PHE . 20.0 tt -112.01 -27.69 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.8 t80 -74.32 -46.02 43.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' 1655 ' ' LEU . 5.9 tt -78.51 -45.54 21.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.553 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.64 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -85.63 -74.5 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.286 -179.478 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.01 158.84 21.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.437 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.889 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.726 0.298 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' 1588 ' ' CYS . 8.7 t 54.92 30.96 14.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.395 0.617 . . . . 0.0 110.287 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 123.84 55.93 0.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.048 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -52.47 132.19 34.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.869 0.366 . . . . 0.0 111.299 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' 1515 ' ' GLY . 66.3 mtt -128.96 133.5 47.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.82 150.25 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.29 172.48 2.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.08 119.25 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 90.3 mt 60.29 99.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.232 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.68 104.66 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.527 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.508 HD23 ' HD1' ' A' 1642 ' ' PHE . 65.6 mt -83.32 17.17 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 54.4 p -90.9 2.42 56.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.8 mt -123.87 138.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.0 m -89.64 167.71 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . 0.689 ' HA ' HH11 ' A' 1530 ' ' ARG . . . -70.22 -32.77 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.181 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -85.81 -2.79 58.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 91.8 m -74.71 -49.41 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.753 ' H ' ' HD2' ' A' 1530 ' ' ARG . 0.0 OUTLIER -83.02 -15.24 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.729 ' HE3' HD13 ' A' 1653 ' ' ILE . 21.2 tptm -68.32 -31.27 70.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.6 mm-40 -59.51 -15.48 18.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.692 HG22 HG13 ' A' 1539 ' ' ILE . 88.9 m -89.28 -41.55 12.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.926 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.42 ' HB2' ' CE ' ' A' 1602 ' ' MET . . . -67.6 -7.12 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.553 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 44.3 t -101.88 -17.27 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.113 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.9 mtmt -63.41 142.92 97.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.34 -30.4 87.61 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.599 2.2 . . . . 0.0 112.452 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.5 ' HG3' ' H ' ' A' 1539 ' ' ILE . 7.9 pt-20 -63.68 -55.72 21.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.692 HG13 HG22 ' A' 1533 ' ' THR . 41.5 mm -62.68 111.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.465 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -84.81 -58.35 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.483 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.42 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 2.0 p90 -105.91 156.95 17.85 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.303 0.573 . . . . 0.0 112.107 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.66 101.11 2.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.821 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.646 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.1 p90 -152.55 169.73 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.139 0.495 . . . . 0.0 111.976 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.675 ' HG2' HD12 ' A' 1564 ' ' LEU . 37.6 ttpt -99.64 140.15 34.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.409 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' 1563 ' ' LEU . 18.8 m -136.56 -177.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.979 0.419 . . . . 0.0 111.547 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.551 ' HB2' HD11 ' A' 1564 ' ' LEU . 20.8 t -155.04 120.92 5.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.602 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.594 HD13 ' HB2' ' A' 1561 ' ' ALA . 35.2 mm -56.7 134.74 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . 0.499 ' O ' ' HE2' ' A' 1595 ' ' LYS . 39.1 p -129.19 -16.95 3.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.507 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 63.8 m -154.01 144.78 22.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 0.0 111.36 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.0 mt -137.54 128.76 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.832 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 63.3 m -133.68 141.21 47.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.5 p -123.93 140.09 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -107.8 -74.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.7 m120 -142.97 -73.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 39.3 t -102.42 -45.77 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -89.36 158.55 17.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 44.7 t -128.55 140.1 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.271 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.677 ' HD3' HG22 ' A' 1583 ' ' ILE . 23.0 mmtp -104.88 124.27 49.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.795 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' 1582 ' ' PHE . 96.3 m-85 -116.13 113.26 22.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.337 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' 1579 ' ' GLU . 18.9 mmtt -93.4 99.91 12.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -108.33 146.77 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.433 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 12.5 m -97.29 132.88 42.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.039 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.861 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.4 tt -73.14 101.48 3.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.431 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.675 HD12 ' HG2' ' A' 1544 ' ' LYS . 83.8 mt -57.93 -44.05 86.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.168 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.581 ' O ' ' HB2' ' A' 1543 ' ' TYR . 14.3 t70 -170.15 150.58 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.58 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.646 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 67.1 mt -97.2 138.16 22.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.575 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 43.7 m-85 -116.65 -20.13 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.0 tmtt? -155.55 99.79 2.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.252 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 89.5 m -40.84 141.81 0.54 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.301 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.772 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -90.34 132.65 11.39 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.012 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.64 -22.44 63.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.815 0.34 . . . . 0.0 110.955 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -73.18 -89.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.321 0.581 . . . . 0.0 110.798 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' 1573 ' ' VAL . 8.7 p -155.17 35.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.767 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.772 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -67.27 123.6 20.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' 1578 ' ' SER . 46.9 mt-10 -134.86 158.29 44.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 62.2 tttm -58.42 134.05 56.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.684 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.636 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.1 p30 44.88 36.26 1.82 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.603 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.545 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 79.0 p -82.65 -165.97 1.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . 0.5 ' HB3' ' NZ ' ' A' 1560 ' ' LYS . 42.6 mt-10 -121.41 122.92 40.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.792 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.771 HD11 HG11 ' A' 1545 ' ' VAL . 8.5 pt -125.73 136.9 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 9.1 m -110.85 105.96 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.632 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.656 ' HB3' HD11 ' A' 1621 ' ' LEU . 35.8 m-85 -102.64 119.76 39.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.282 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.677 HG22 ' HD3' ' A' 1558 ' ' LYS . 29.4 pt -102.2 149.52 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.952 0.406 . . . . 0.0 111.466 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' A' 1592 ' ' GLU . 36.6 ttpt -141.29 147.58 38.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.787 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.462 ' NZ ' ' HB2' ' A' 1585 ' ' LYS . 10.6 mtmp? -86.53 140.8 29.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.7 p -72.1 -7.12 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.023 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 75.8 p -76.84 -12.48 59.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.441 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' 1514 ' ' CYS . 56.6 m -66.85 178.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 0.0 111.015 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 74.9 m -145.8 -43.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 18.9 m120 -86.56 4.42 40.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -116.85 129.55 56.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . 0.445 ' HA ' ' NZ ' ' A' 1584 ' ' LYS . 40.9 tt0 -163.53 102.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' 1593 ' ' LEU . 4.4 mp -88.43 164.41 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.515 HG12 ' OH ' ' A' 1599 ' ' TYR . 12.2 p -144.42 146.7 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.499 ' HE2' ' O ' ' A' 1548 ' ' THR . 57.9 tttm -80.58 134.78 35.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 104.99 -16.02 47.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.714 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.419 ' HB2' HG13 ' A' 1594 ' ' VAL . 10.9 mpt_? -99.48 172.7 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.969 0.414 . . . . 0.0 111.376 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -114.41 146.98 39.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.819 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.515 ' OH ' HG12 ' A' 1594 ' ' VAL . 96.8 m-85 -142.08 127.54 18.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.287 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' 1543 ' ' TYR . 56.9 tp -82.78 107.79 15.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.985 179.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' A' 1582 ' ' PHE . 58.7 mt -95.2 132.96 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.266 0.555 . . . . 0.0 112.056 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.42 ' CE ' ' HB2' ' A' 1534 ' ' ALA . 61.8 mtp -147.55 107.98 4.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.802 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.583 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -158.42 -174.85 28.66 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.116 -1.04 . . . . 0.0 113.523 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.465 ' HA ' ' H ' ' A' 1540 ' ' ALA . 12.5 mtmt -62.31 -172.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.114 0.483 . . . . 0.0 111.495 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -74.71 148.17 40.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.436 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -74.45 152.4 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.52 HD23 ' HD3' ' A' 1620 ' ' PRO . 3.9 mm? -63.78 -168.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 N--CA 1.447 -0.595 0 CA-C-O 121.169 0.509 . . . . 0.0 111.826 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.798 0.333 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 43.5 pt -106.64 177.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 14.6 m-85 -125.73 114.58 24.8 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.808 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . 0.52 ' HD3' HD23 ' A' 1607 ' ' LEU . 73.5 Cg_endo -75.54 167.08 27.28 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.665 2.244 . . . . 0.0 112.826 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.656 HD11 ' HB3' ' A' 1582 ' ' PHE . 82.6 mt -145.62 100.19 3.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.76 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -114.94 -76.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.416 ' H ' ' H ' ' A' 1624 ' ' LEU . 73.1 p -169.18 -19.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' 1625 ' ' THR . 0.0 OUTLIER -73.96 -11.72 60.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.565 ' N ' HD13 ' A' 1624 ' ' LEU . 69.1 m -91.52 113.46 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -66.23 123.25 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 64.9 mt -124.45 126.84 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.792 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.36 113.21 10.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.862 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 74.8 t80 -55.22 134.71 49.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -104.6 106.83 56.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.607 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.658 ' HB2' HD11 ' A' 1643 ' ' LEU . 59.2 Cg_exo -51.88 109.88 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.527 2.151 . . . . 0.0 112.409 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -82.11 -30.97 30.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -72.51 114.37 10.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.59 ' HA ' HD23 ' A' 1643 ' ' LEU . 36.1 tt0 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.942 0.401 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -149.28 -33.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.756 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.508 ' HD1' HD23 ' A' 1523 ' ' LEU . 88.5 t80 -91.08 -20.78 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.679 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.6 mm? -67.97 -35.79 78.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.65 75.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -74.92 -19.21 60.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' 1643 ' ' LEU . 96.6 mt -79.97 -33.42 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -60.84 -32.33 71.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.678 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -66.38 -32.07 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.422 ' O ' HG22 ' A' 1653 ' ' ILE . 80.8 t80 -69.71 -28.01 65.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -67.09 -49.02 66.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.318 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -80.05 -4.39 52.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.123 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.696 ' HA ' HD22 ' A' 1656 ' ' ASN . 18.5 t70 -95.58 -16.3 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.729 HD13 ' HE3' ' A' 1531 ' ' LYS . 6.9 tp -105.33 -28.81 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.035 0.445 . . . . 0.0 110.684 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.3 t80 -81.66 -44.3 17.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.29 -70.29 0.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.696 HD22 ' HA ' ' A' 1652 ' ' ASP . 17.3 m-80 -58.04 -59.35 5.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.513 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 60.14 42.31 98.5 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.384 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.224 -179.716 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.636 ' O ' ' HB3' ' A' 1590 ' ' ASN . 3.7 p-10 . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 111.414 0.153 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.611 ' HB2' ' HA ' ' A' 1588 ' ' CYS . 12.0 t 53.73 -153.9 0.26 Allowed 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . -61.88 80.63 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.158 -1.02 . . . . 0.0 111.377 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' 1514 ' ' CYS . 3.5 pp0? -47.22 139.23 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 111.119 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.54 ' HG2' ' HB ' ' A' 1627 ' ' ILE . 63.9 mtt -124.38 141.84 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -81.94 171.21 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.34 176.06 1.96 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.97 -85.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 74.6 mt -105.98 99.76 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -147.94 96.68 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.598 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 36.1 mt -70.69 100.56 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . 0.401 ' H ' ' H ' ' A' 1525 ' ' ILE . 7.5 t -168.47 -21.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.401 ' H ' ' H ' ' A' 1524 ' ' THR . 64.9 mt -89.78 133.44 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.5 t -77.03 157.71 30.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.42 -14.8 58.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -87.44 -33.89 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 46.2 m -59.22 -25.19 63.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -91.08 -41.09 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.55 ' O ' ' HD3' ' A' 1531 ' ' LYS . 11.8 tmtt? -61.87 -37.84 86.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.066 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' 1528 ' ' GLU . 30.3 mm-40 -58.97 -17.84 28.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.781 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.689 ' HA ' ' HG3' ' A' 1536 ' ' LYS . 37.6 m -85.97 -26.84 25.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -70.75 1.82 4.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.454 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 39.5 t -126.91 -3.72 6.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.689 ' HG3' ' HA ' ' A' 1533 ' ' THR . 98.4 mttt -64.28 151.2 91.33 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.38 -27.65 47.2 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.54 2.16 . . . . 0.0 112.236 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.427 ' O ' HD13 ' A' 1539 ' ' ILE . 11.5 pt-20 -85.55 9.52 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.777 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.512 HD12 ' HA2' ' A' 1603 ' ' GLY . 34.8 mm -124.85 120.44 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -90.55 -61.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.726 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.935 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.6 p90 -108.28 159.71 16.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.282 0.563 . . . . 0.0 112.206 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.579 ' HA ' ' HG2' ' A' 1602 ' ' MET . . . -144.96 90.6 2.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.815 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.803 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.2 p90 -144.28 -171.85 3.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.257 0.551 . . . . 0.0 112.068 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -132.81 132.42 42.17 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.029 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.858 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.9 m -127.86 -177.35 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.068 0.461 . . . . 0.0 111.724 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 22.5 t -141.77 123.64 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.483 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.444 HD11 HD13 ' A' 1593 ' ' LEU . 38.3 mm -61.3 135.83 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 44.2 p -132.42 -31.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.25 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.591 ' HA ' ' HE2' ' A' 1595 ' ' LYS . 73.4 m -140.73 141.34 34.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 72.4 mt -131.51 125.48 56.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.849 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.3 m -128.68 136.74 51.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.604 HG22 HG23 ' A' 1557 ' ' VAL . 38.2 t -118.12 128.73 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.051 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -90.71 -68.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . 0.502 ' ND2' HG23 ' A' 1555 ' ' VAL . 10.5 t30 -163.37 -71.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.874 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.502 HG23 ' ND2' ' A' 1554 ' ' ASN . 39.7 t -99.94 -43.01 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -101.73 112.25 24.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.796 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.604 HG23 HG22 ' A' 1552 ' ' VAL . 10.1 p -84.94 151.36 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.458 ' HB2' ' NZ ' ' A' 1558 ' ' LYS . 10.5 mtmp? -124.81 149.65 47.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.383 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -133.29 106.82 7.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.435 ' HG2' HG23 ' A' 1581 ' ' THR . 60.9 mttp -88.08 121.65 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -136.79 167.39 21.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.33 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.9 m -104.57 141.29 36.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.184 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.858 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.4 mt -73.63 124.65 26.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.974 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.8 mp -88.48 -35.68 16.88 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.315 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.5 t70 -174.29 130.46 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.803 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 68.5 mt -103.9 120.32 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.818 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -92.68 -25.57 18.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.353 0.597 . . . . 0.0 109.647 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 62.2 tttp -141.13 116.84 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.56 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 20.3 m -45.88 149.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 111.916 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.935 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -86.56 16.81 43.12 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.969 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 55.99 9.42 0.46 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.2 0.524 . . . . 0.0 110.26 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -136.4 -148.14 0.28 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.8 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.472 ' O ' HG22 ' A' 1573 ' ' VAL . 7.7 p -77.96 34.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.206 0.527 . . . . 0.0 111.272 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.71 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -82.48 125.29 30.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.257 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.403 ' C ' HD12 ' A' 1566 ' ' ILE . 15.8 mm-40 -148.58 163.11 38.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.047 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 61.1 tttm -52.96 106.52 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.694 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.7 t70 64.83 82.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.857 ' H ' ' HB2' ' A' 1563 ' ' LEU . 54.8 m -129.18 -174.33 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.407 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -108.72 115.09 29.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 110.431 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.701 HD11 HG11 ' A' 1545 ' ' VAL . 8.9 pt -127.22 137.49 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.442 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . 0.435 HG23 ' HG2' ' A' 1560 ' ' LYS . 35.1 m -115.42 113.62 23.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.072 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.457 ' HE1' HD12 ' A' 1580 ' ' ILE . 39.9 m-85 -87.65 174.15 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.689 HG23 ' HA ' ' A' 1620 ' ' PRO . 9.0 tt -153.95 107.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.793 ' HB2' HD12 ' A' 1621 ' ' LEU . 39.0 ttpt -96.15 148.78 22.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.454 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 75.9 mmtt -75.28 -177.77 3.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' 1555 ' ' VAL . 9.7 p -99.31 -27.2 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 69.6 p -72.45 -10.99 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.611 ' HA ' ' HB2' ' A' 1514 ' ' CYS . 57.3 m -60.43 121.83 13.07 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . 0.473 HG22 ' O ' ' A' 1589 ' ' THR . 8.8 m -121.23 7.1 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.403 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.636 ' HB3' ' O ' ' A' 1513 ' ' ASP . 2.9 t-20 -130.11 -21.73 2.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.178 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -89.07 122.45 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.286 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.59 142.61 23.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.444 HD13 HD11 ' A' 1547 ' ' ILE . 93.8 mt -132.56 163.49 28.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.75 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 59.2 t -132.41 140.04 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.834 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.3 ttmt -72.76 125.81 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 103.36 -5.53 48.89 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.734 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.75 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 90.8 mtt180 -101.0 173.11 6.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.058 0.456 . . . . 0.0 111.396 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -120.97 137.2 54.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.75 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -139.41 145.86 39.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.442 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' 1627 ' ' ILE . 51.5 tp -90.63 120.01 31.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.912 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.559 HG22 ' HE1' ' A' 1541 ' ' TYR . 61.7 mt -114.84 134.58 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.066 0.46 . . . . 0.0 112.015 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.579 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 66.8 mtp -148.87 111.49 4.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.111 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.512 ' HA2' HD12 ' A' 1539 ' ' ILE . . . 178.47 -169.61 41.31 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.083 -1.056 . . . . 0.0 113.294 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.495 ' NZ ' ' HB3' ' A' 1604 ' ' LYS . 4.2 mmmp? -50.61 154.99 1.19 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.902 0.382 . . . . 0.0 111.551 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 13.6 pt-20 -78.3 -169.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.245 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.427 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -85.12 156.77 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.084 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' 1617 ' ' TYR . 3.8 mm? -88.5 130.08 35.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.485 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 64.8 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.485 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 1.9 m-85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.735 0.302 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 1.7 mt -112.44 148.75 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 111.34 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 53.7 m-85 -102.11 104.54 37.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.65 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . 0.689 ' HA ' HG23 ' A' 1583 ' ' ILE . 54.4 Cg_endo -68.12 171.54 12.41 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.495 2.13 . . . . 0.0 112.137 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.793 HD12 ' HB2' ' A' 1584 ' ' LYS . 94.7 mt -136.81 96.83 3.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.487 ' HB2' ' HG ' ' A' 1624 ' ' LEU . 10.0 m-20 -118.95 -178.99 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.584 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' 1514 ' ' CYS . 56.0 p -61.82 -10.27 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' 1622 ' ' ASP . 2.2 pp -90.52 10.26 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.5 m -107.3 137.05 46.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.996 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' A' 1601 ' ' ILE . 65.2 t-105 -103.9 115.44 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.54 ' HB ' ' HG2' ' A' 1517 ' ' MET . 68.7 mt -132.11 118.26 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -128.1 141.2 51.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.57 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 58.4 t80 -65.59 136.18 56.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -109.51 112.96 58.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.55 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.529 ' HB2' HD21 ' A' 1643 ' ' LEU . 55.3 Cg_exo -52.5 116.45 2.86 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.592 2.194 . . . . 0.0 112.316 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -84.75 -31.92 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.045 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.16 113.19 15.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.541 ' HB ' HE21 ' A' 1640 ' ' GLN . 68.6 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.844 ' HA ' HD23 ' A' 1643 ' ' LEU . 28.7 mt-30 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.874 0.368 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.18 -53.54 43.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 62.8 t80 -65.71 -31.48 72.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.844 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -69.81 -22.96 63.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.747 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.93 63.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.06 -23.28 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.57 -23.38 32.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.31 -40.63 96.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.6 -18.09 62.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.701 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.507 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 58.7 t80 -84.61 -39.6 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.072 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.18 13.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.413 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.17 -31.82 70.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.326 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.75 -68.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.447 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.539 HD13 ' HE2' ' A' 1531 ' ' LYS . 7.9 tp -55.97 -30.13 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.73 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 58.5 t80 -76.66 -48.82 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.931 0.396 . . . . 0.0 111.352 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.03 -67.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.107 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.654 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -61.41 -74.78 0.08 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.394 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 76.37 157.17 7.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.357 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . 0.517 ' HB2' ' NZ ' ' A' 1531 ' ' LYS . 49.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.609 0.243 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' 1588 ' ' CYS . 3.6 p -48.06 120.8 3.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.388 . . . . 0.0 110.438 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 74.89 34.9 51.88 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.67 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.596 ' HG3' ' HA ' ' A' 1623 ' ' SER . 4.2 pp0? -54.32 160.14 1.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.19 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 15.5 ptp -135.51 138.47 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -71.26 178.19 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.92 153.29 29.63 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . 0.505 ' HG3' ' HD2' ' A' 1629 ' ' TYR . 41.0 tt0 -71.61 -33.7 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 93.4 mt -147.7 105.21 3.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -142.66 129.52 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 90.3 mt -91.89 10.97 26.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 72.3 p -77.13 -9.52 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 65.4 mt -111.77 129.41 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.5 m -103.15 -178.19 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -85.42 0.18 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.9 mt-10 -105.31 -52.91 2.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 34.5 m -62.5 -19.5 63.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -95.13 -25.49 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.3 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.529 ' O ' ' HD3' ' A' 1531 ' ' LYS . 3.3 tmtp? -81.79 -45.3 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' 1528 ' ' GLU . 17.0 mm-40 -54.49 -26.17 29.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.784 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.794 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 91.8 m -81.54 -33.17 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -69.69 -9.87 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.2 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 50.7 t -98.43 -25.31 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.794 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.3 mtmt -63.1 155.14 74.7 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . 0.455 ' HG2' ' OE1' ' A' 1538 ' ' GLU . 29.0 Cg_endo -63.2 -12.26 29.32 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.483 2.122 . . . . 0.0 112.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.455 ' OE1' ' HG2' ' A' 1537 ' ' PRO . 0.3 OUTLIER -69.27 -22.87 63.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.451 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.585 HG21 ' HG2' ' A' 1602 ' ' MET . 13.4 mm -118.84 111.39 33.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.416 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -79.3 -53.28 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.001 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.477 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 3.3 p90 -116.76 155.86 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 111.589 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.41 ' HB3' ' CB ' ' A' 1568 ' ' LYS . . . -145.82 100.58 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.086 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.761 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 12.6 p90 -150.84 -179.07 6.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.293 0.568 . . . . 0.0 112.013 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' 1564 ' ' LEU . 60.2 tttm -123.08 136.95 55.02 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.484 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.826 HG12 ' HA ' ' A' 1563 ' ' LEU . 11.6 m -132.56 -175.91 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 18.0 t -145.5 127.86 15.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.5 mm -66.6 137.6 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' 1561 ' ' ALA . 4.2 t -130.38 -18.02 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.465 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.828 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 49.5 m -152.04 144.34 24.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.521 HG13 ' HB3' ' A' 1595 ' ' LYS . 77.3 mt -131.25 138.15 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.2 m -135.38 109.03 7.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 33.7 t -95.77 122.68 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' 1556 ' ' PHE . 38.7 tt0 -106.62 163.49 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . 0.408 ' N ' ' HG2' ' A' 1553 ' ' GLU . 34.4 m-80 -58.3 -18.52 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.331 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 71.8 t -126.41 -76.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.415 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.454 ' O ' ' HB3' ' A' 1553 ' ' GLU . 97.0 m-85 -82.73 178.19 8.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.348 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.561 ' HB ' ' HG2' ' A' 1584 ' ' LYS . 11.8 t -136.59 111.66 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' 1558 ' ' LYS . 0.8 OUTLIER -90.42 124.11 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.674 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.479 ' HE2' ' HE3' ' A' 1584 ' ' LYS . 37.3 m-85 -114.41 114.76 26.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.89 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.828 ' HB3' ' HB2' ' A' 1549 ' ' SER . 42.6 tptt -97.98 115.53 28.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.428 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' 1548 ' ' THR . . . -135.62 165.79 24.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 0.0 111.541 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -114.87 135.52 54.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.852 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.826 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.3 tt -70.25 134.5 48.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.597 HD13 ' HA ' ' A' 1545 ' ' VAL . 8.9 mp -91.8 -50.55 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.788 0.328 . . . . 0.0 110.813 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.3 t70 -164.61 141.22 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.644 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.761 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.0 mt -99.18 121.99 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 111.922 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.623 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 95.5 m-85 -93.74 -19.68 20.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.558 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.41 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 6.9 tmtm? -149.72 110.21 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.685 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 88.2 m -43.69 145.51 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.1 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.816 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -103.84 135.17 12.26 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.311 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.79 -30.33 63.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.708 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -84.95 56.94 4.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.284 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' 1573 ' ' VAL . 7.4 p 38.68 75.27 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.689 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.816 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -93.72 137.04 33.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.583 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -139.98 143.68 36.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.695 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.37 129.02 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.725 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.716 ' HA ' ' O ' ' A' 1563 ' ' LEU . 16.3 t70 64.39 38.7 7.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.464 ' H ' ' HB3' ' A' 1563 ' ' LEU . 24.4 t -87.44 -167.25 1.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.473 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -110.74 129.94 55.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.654 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.747 HD12 ' HE1' ' A' 1582 ' ' PHE . 35.9 pt -128.26 145.02 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.581 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 21.9 m -137.27 100.91 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.826 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.747 ' HE1' HD12 ' A' 1580 ' ' ILE . 81.6 m-85 -93.2 121.01 34.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.021 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' 1557 ' ' VAL . 41.1 pt -112.27 144.71 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.608 ' HE2' HD13 ' A' 1621 ' ' LEU . 19.5 ptpt -141.88 -169.08 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.528 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.2 OUTLIER -109.2 176.92 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.687 179.537 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.1 p -78.01 -25.57 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.301 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.1 p -75.51 -8.84 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.39 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.606 ' HB2' ' HD3' ' A' 1584 ' ' LYS . 17.9 m -81.99 35.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.132 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 37.8 m -59.91 -22.43 62.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -54.76 -30.31 56.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -103.0 120.94 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.78 99.51 4.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' 1593 ' ' LEU . 3.9 mp -95.71 174.99 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.589 ' HB ' ' HD3' ' A' 1597 ' ' ARG . 49.1 t -133.4 136.4 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.521 ' HB3' HG13 ' A' 1550 ' ' ILE . 13.3 ptmm? -70.03 116.3 10.24 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 117.18 -8.07 16.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.589 ' HD3' ' HB ' ' A' 1594 ' ' VAL . 10.6 mpt_? -94.56 173.3 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.411 . . . . 0.0 111.18 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.605 ' HG3' HH21 ' A' 1632 ' ' ARG . 21.9 mt-30 -112.58 133.47 54.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -133.54 149.97 51.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.364 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' 1601 ' ' ILE . 2.2 tm? -95.82 130.82 42.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.984 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.794 HD13 HG22 ' A' 1545 ' ' VAL . 2.2 mp -120.84 131.78 72.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.029 0.443 . . . . 0.0 111.354 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.585 ' HG2' HG21 ' A' 1539 ' ' ILE . 3.7 ttp -152.7 129.19 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.442 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.567 ' N ' HG23 ' A' 1539 ' ' ILE . . . 163.0 -168.93 38.0 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 119.937 -1.125 . . . . 0.0 113.494 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -53.87 154.85 3.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.853 0.358 . . . . 0.0 111.201 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.55 172.57 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -80.93 -177.57 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.32 -171.91 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.423 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.729 0.299 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 44.7 pt -135.26 142.79 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' 1582 ' ' PHE . 49.3 m-85 -93.81 127.45 45.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.159 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -80.61 -177.66 3.91 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.619 2.213 . . . . 0.0 112.414 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.608 HD13 ' HE2' ' A' 1584 ' ' LYS . 74.1 mt -145.74 99.62 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.778 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -126.57 -171.63 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.596 ' HA ' ' HG3' ' A' 1516 ' ' GLN . 79.1 p -75.2 -5.28 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.5 pp -92.85 -31.69 14.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.685 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.454 ' O ' HG12 ' A' 1627 ' ' ILE . 39.0 m -58.1 98.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.028 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -61.79 109.93 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' 1625 ' ' THR . 49.6 mm -113.14 134.73 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.757 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.413 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 0.7 OUTLIER -147.32 100.23 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.953 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.533 ' O ' ' HD3' ' A' 1631 ' ' PRO . 43.3 t80 -58.0 120.44 8.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -89.19 106.8 14.62 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.264 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.758 ' HB2' HD21 ' A' 1643 ' ' LEU . 52.1 Cg_exo -52.51 99.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.505 2.137 . . . . 0.0 112.528 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.605 HH21 ' HG3' ' A' 1598 ' ' GLN . 28.0 ttm180 -62.26 -36.0 80.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.723 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.65 117.12 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.846 HG22 HD13 ' A' 1643 ' ' LEU . 30.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' 1643 ' ' LEU . 9.0 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.725 0.298 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.0 -62.19 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 80.6 t80 -73.98 -6.54 48.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.434 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.846 HD13 HG22 ' A' 1634 ' ' THR . 49.7 mt -95.65 5.29 51.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.843 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -103.31 -48.0 4.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -62.27 -30.17 70.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.736 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.13 -30.86 70.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.63 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.0 -30.95 71.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.61 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' 1652 ' ' ASP . 13.4 mm-40 -80.16 3.08 21.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.737 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.43 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 83.4 t80 -118.06 -29.56 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.679 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -63.85 -65.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -72.15 -12.68 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.975 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' 1648 ' ' GLU . 17.2 t70 -66.85 -70.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.522 HD12 ' HE3' ' A' 1531 ' ' LYS . 17.3 tt -62.94 -28.0 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.964 0.411 . . . . 0.0 110.834 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.3 t80 -63.95 -50.59 68.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.713 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.438 ' C ' HD23 ' A' 1655 ' ' LEU . 6.8 tt -83.82 -64.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.487 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -60.65 -74.67 0.07 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 71.65 136.81 0.18 Allowed Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.476 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.858 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' 1590 ' ' ASN . 9.0 m-20 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.51 0.195 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' 1516 ' ' GLN . 0.7 OUTLIER 54.33 -146.71 0.54 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.157 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.513 ' HA2' ' C ' ' A' 1622 ' ' ASP . . . -55.55 82.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.298 -0.953 . . . . 0.0 111.518 178.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' 1514 ' ' CYS . 64.3 tt0 -43.11 129.72 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.928 0.394 . . . . 0.0 111.586 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 26.2 mmt -120.34 141.04 50.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.847 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.83 153.82 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.65 147.88 50.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -84.12 149.08 26.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' 1631 ' ' PRO . 8.1 mp 54.56 29.95 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.338 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.91 74.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.88 91.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.227 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.3 t -176.37 -11.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.798 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.61 130.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 49.8 m -73.06 165.66 24.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -72.38 -10.59 59.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.9 mt-10 -107.35 -26.65 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 43.5 m -58.79 -24.83 62.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.738 HH22 HD23 ' A' 1646 ' ' LEU . 50.2 ttp180 -104.19 -34.12 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.674 ' HE3' HD13 ' A' 1653 ' ' ILE . 21.3 tptm -64.92 -34.41 78.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 1528 ' ' GLU . 47.1 mt-30 -57.52 -17.35 13.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.054 0.454 . . . . 0.0 110.372 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.637 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 97.0 m -83.85 -42.35 16.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.687 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.46 ' HB2' ' CE ' ' A' 1602 ' ' MET . . . -66.23 -24.11 66.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.346 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 48.7 t -82.82 -5.45 58.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.049 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.637 ' HE2' ' HA ' ' A' 1533 ' ' THR . 52.2 mtmt -77.49 149.04 77.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.64 -9.96 27.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.562 2.175 . . . . 0.0 112.26 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.58 ' HB2' ' HZ2' ' A' 1604 ' ' LYS . 11.0 pt-20 -87.54 -3.51 58.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.487 HD12 ' HA2' ' A' 1603 ' ' GLY . 41.0 mm -117.14 102.85 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.407 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -74.03 -57.78 3.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.62 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.499 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -113.69 159.13 20.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.411 0.624 . . . . 0.0 112.105 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.539 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -151.85 104.01 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.676 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.749 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.4 OUTLIER -149.63 -177.6 5.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.147 0.499 . . . . 0.0 112.227 -178.74 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.569 ' HA ' HD22 ' A' 1600 ' ' LEU . 14.5 tmtt? -111.89 122.16 47.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.656 HG11 HD11 ' A' 1580 ' ' ILE . 37.7 t -119.58 170.77 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.939 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.638 ' N ' HG12 ' A' 1545 ' ' VAL . 20.8 t -150.05 119.12 6.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.386 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.627 HD13 ' HB2' ' A' 1561 ' ' ALA . 33.6 mm -56.28 141.62 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.025 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 34.7 p -129.65 -18.22 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.7 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 68.5 m -150.55 154.83 38.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.342 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.424 HG12 ' HB2' ' A' 1595 ' ' LYS . 42.1 mm -121.76 138.5 51.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.845 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 59.6 m -123.57 121.29 35.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.194 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 86.5 t -109.48 133.92 53.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' 1556 ' ' PHE . 8.9 tp10 -141.28 7.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.537 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 70.24 -75.49 0.07 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 52.9 t -61.56 -67.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.98 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' 1553 ' ' GLU . 15.7 m-85 -109.7 102.86 11.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.003 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 62.1 t -84.37 137.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.79 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.615 ' HG2' HG22 ' A' 1583 ' ' ILE . 59.4 mttm -125.79 157.33 37.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.14 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.423 ' CD2' HD12 ' A' 1593 ' ' LEU . 95.1 m-85 -135.29 133.82 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.7 ' HB3' ' HB2' ' A' 1549 ' ' SER . 22.7 tptm -95.58 116.82 29.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.627 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -122.49 152.76 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 111.557 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . 0.562 ' C ' HG13 ' A' 1545 ' ' VAL . 2.4 m -115.66 117.08 29.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.833 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.786 HD21 HG12 ' A' 1566 ' ' ILE . 11.0 tp -66.49 103.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.164 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' 1546 ' ' SER . 4.4 mm? -63.91 -53.89 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.639 0.257 . . . . 0.0 111.59 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.9 t70 -149.47 154.1 38.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.153 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.786 HG12 HD21 ' A' 1563 ' ' LEU . 54.1 mt -103.38 138.5 27.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.005 0.431 . . . . 0.0 111.84 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.493 ' HB3' HG21 ' A' 1653 ' ' ILE . 31.7 m-85 -113.76 -20.04 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.539 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 65.1 tttm -153.02 104.47 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.537 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 63.1 m -40.41 144.43 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.187 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.816 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -97.58 130.5 10.26 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.39 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -58.61 -27.3 64.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 110.664 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -90.83 41.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.528 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 69.2 t 57.53 92.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.257 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.816 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -116.5 128.11 55.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.429 ' C ' HD11 ' A' 1566 ' ' ILE . 19.0 mm-40 -127.85 151.47 49.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.008 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -68.12 136.02 53.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.529 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.48 ' HA ' ' O ' ' A' 1563 ' ' LEU . 15.5 t70 63.0 24.41 14.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.054 0.454 . . . . 0.0 110.509 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 28.2 t -76.96 -167.99 0.97 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.523 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -120.09 127.08 52.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.466 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.676 HD12 ' HE1' ' A' 1582 ' ' PHE . 29.9 pt -136.2 144.09 34.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.969 0.414 . . . . 0.0 111.836 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 25.3 m -120.93 133.14 55.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.665 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.676 ' HE1' HD12 ' A' 1580 ' ' ILE . 29.6 m-85 -122.71 109.35 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.244 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.615 HG22 ' HG2' ' A' 1558 ' ' LYS . 34.7 pt -87.87 168.27 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.586 ' HB2' HD23 ' A' 1621 ' ' LEU . 5.5 tmmm? -169.91 144.36 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 111.136 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.519 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -83.65 133.74 34.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.931 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.9 p -57.95 -15.56 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.2 p -60.18 -14.49 17.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.433 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 63.5 m -62.12 159.14 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 56.2 p -139.79 1.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' 1513 ' ' ASP . 2.9 t-20 -135.04 -24.98 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -80.97 113.39 19.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -143.36 138.09 29.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.759 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.423 HD12 ' CD2' ' A' 1559 ' ' TYR . 87.9 mt -125.48 153.03 44.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.681 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 61.9 t -127.19 142.44 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.424 ' HB2' HG12 ' A' 1550 ' ' ILE . 39.3 ttpt -78.21 142.54 37.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.37 75.6 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.613 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.681 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 81.7 mtt180 -95.8 158.75 15.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.985 0.421 . . . . 0.0 111.367 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.544 ' HB3' ' HE2' ' A' 1544 ' ' LYS . 26.6 mt-30 -97.77 119.53 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.669 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -116.2 129.9 56.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.088 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 1.0 OUTLIER -86.61 131.49 34.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.38 178.783 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.575 ' N ' HD13 ' A' 1600 ' ' LEU . 76.4 mt -124.11 132.72 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.46 ' CE ' ' HB2' ' A' 1534 ' ' ALA . 69.2 mtp -149.16 113.08 5.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.986 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.487 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -175.46 -158.17 18.61 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.645 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.58 ' HZ2' ' HB2' ' A' 1538 ' ' GLU . 47.3 mmtm -54.81 -177.36 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 111.842 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 10.1 pt-20 -99.58 55.82 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.178 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . 58.09 -175.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.382 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.402 ' HG ' ' HG3' ' A' 1620 ' ' PRO . 98.5 mt -121.24 94.6 4.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.549 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 45.1 mt-30 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.12 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.465 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 35.3 m-85 . . . . . 0 CA--C 1.528 0.115 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 28.2 pt -55.97 143.71 8.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' 1582 ' ' PHE . 30.1 m-85 -94.79 131.86 29.66 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.197 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . 0.402 ' HG3' ' HG ' ' A' 1607 ' ' LEU . 89.3 Cg_endo -78.61 -168.71 0.65 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.693 2.262 . . . . 0.0 112.153 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' 1584 ' ' LYS . 43.9 tp -160.98 104.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.552 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 11.0 m-20 -135.41 -162.41 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' 1514 ' ' CYS . 66.2 p -86.22 -24.63 25.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.716 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' 1625 ' ' THR . 1.8 pt? -67.08 -38.07 85.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.842 0.353 . . . . 0.0 111.004 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.623 ' H ' HD23 ' A' 1624 ' ' LEU . 35.2 m -70.2 119.86 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -66.06 130.37 43.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.07 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 67.9 mt -132.33 129.97 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.665 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.594 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 9.4 tp10 -128.93 154.2 46.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.977 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.548 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 62.5 t80 -98.19 135.24 40.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.777 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.481 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 2.6 t-105 -109.31 103.09 51.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.762 ' HB3' HD11 ' A' 1521 ' ' LEU . 8.7 Cg_endo -50.69 109.12 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.81 2.34 . . . . 0.0 112.247 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.546 ' HD3' ' HA ' ' A' 1597 ' ' ARG . 85.0 mtm180 -56.18 -50.24 71.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.8 133.44 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.84 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 26.0 mm-40 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.676 0.274 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . 0.542 ' O ' HD22 ' A' 1643 ' ' LEU . . . 68.1 99.91 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.43 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.631 ' HB3' ' HG3' ' A' 1631 ' ' PRO . 56.4 t80 74.75 -29.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.816 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.84 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.0 mm? -70.4 -4.36 22.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -87.23 -30.17 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -83.46 -21.22 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.738 HD23 HH22 ' A' 1530 ' ' ARG . 97.8 mt -77.81 -30.58 51.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.89 -35.03 79.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.574 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' 1652 ' ' ASP . 44.9 mt-10 -73.27 -24.05 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.755 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' 1653 ' ' ILE . 89.4 t80 -91.86 -21.55 20.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.6 -67.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.357 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.01 -7.21 39.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.088 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' 1648 ' ' GLU . 20.4 t70 -75.63 -70.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.731 HD12 ' HA2' ' A' 1657 ' ' GLY . 7.3 tp -61.03 -24.79 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 110.834 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 61.7 t80 -74.02 -55.05 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.034 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 40.5 tp -81.63 -63.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.61 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -64.26 -71.5 0.17 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.117 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.731 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 66.38 -176.38 18.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.563 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.532 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 9.8 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.592 0.234 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.47 ' O ' ' HB3' ' A' 1588 ' ' CYS . 39.7 t 48.18 84.96 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.55 -179.501 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . 93.31 46.73 3.21 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.843 -179.269 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -45.67 111.11 0.31 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.519 -0.34 . . . . 0.0 111.187 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 95.2 mmm -79.79 -178.69 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -129.92 150.68 51.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' 1519 ' ' GLU . 0.9 OUTLIER -54.32 148.03 12.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.023 179.911 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.46 117.34 25.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 97.1 mt 59.75 102.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.288 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.489 ' OD1' HG23 ' A' 1524 ' ' THR . 40.5 t0 -159.79 130.59 5.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.577 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 93.0 mt -89.05 15.12 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.488 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . 0.489 HG23 ' OD1' ' A' 1522 ' ' ASP . 68.9 p -84.5 0.43 49.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.822 0.344 . . . . 0.0 111.058 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.48 131.36 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.7 p -93.66 178.88 5.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -90.46 -7.55 52.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.2 mt-10 -95.44 -43.04 8.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.2 m -55.69 -35.5 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.585 HH22 HD23 ' A' 1646 ' ' LEU . 71.9 mtm180 -75.35 -33.13 61.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.648 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 22.6 tptm -72.43 -28.96 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' 1528 ' ' GLU . 76.9 mt-30 -59.57 -18.64 42.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.802 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 77.7 m -100.19 -27.52 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.552 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.648 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -68.01 -21.68 65.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.203 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.6 t -88.98 -7.42 56.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.012 -179.816 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' 1533 ' ' THR . 55.0 mtmt -85.96 150.86 53.75 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.797 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.15 -13.54 19.94 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.614 2.209 . . . . 0.0 112.566 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' 1604 ' ' LYS . 7.5 tp10 -68.87 -9.61 52.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.991 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.639 HG21 ' HG2' ' A' 1602 ' ' MET . 33.5 mm -121.29 145.71 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 -179.759 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.61 ' HB1' ' HG3' ' A' 1605 ' ' GLU . . . -122.15 -34.78 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.2 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.853 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.3 p90 -138.4 159.78 41.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.359 0.6 . . . . 0.0 112.075 -179.198 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.55 ' HB2' ' HG3' ' A' 1602 ' ' MET . . . -150.56 109.28 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.399 179.03 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.776 ' HB2' HD11 ' A' 1563 ' ' LEU . 0.7 OUTLIER -154.61 -179.54 8.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.891 0.376 . . . . 0.0 111.811 -178.469 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' 1563 ' ' LEU . 0.0 OUTLIER -117.78 129.43 55.68 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.252 0.549 . . . . 0.0 110.541 179.708 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.636 HG12 ' N ' ' A' 1546 ' ' SER . 23.4 t -122.26 171.94 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.408 -178.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.636 ' N ' HG12 ' A' 1545 ' ' VAL . 22.9 t -144.56 115.36 7.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.18 178.603 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.601 HD13 ' HB2' ' A' 1561 ' ' ALA . 41.1 mm -55.38 143.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.304 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 73.6 p -135.83 -25.64 1.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.392 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.822 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 32.5 t -150.33 158.7 44.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.005 0.431 . . . . 0.0 111.28 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.2 mt -137.21 116.8 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.3 m -104.55 131.71 51.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 9.2 p -102.39 142.78 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' 1554 ' ' ASN . 9.1 tp10 -143.36 165.05 28.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . 0.472 ' O ' ' HB ' ' A' 1555 ' ' VAL . 2.3 m-20 -75.02 121.62 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.472 ' HB ' ' O ' ' A' 1554 ' ' ASN . 92.3 t 74.81 -38.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.478 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -111.48 -174.83 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 11.2 p -164.17 143.35 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.487 ' HG2' HD13 ' A' 1583 ' ' ILE . 87.8 mttt -124.57 142.26 51.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 -179.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 88.3 m-85 -124.08 126.11 45.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.736 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.822 ' HB2' ' HB3' ' A' 1549 ' ' SER . 75.7 mmtt -93.83 104.94 16.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.601 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -121.92 141.77 50.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . 0.502 ' C ' HG13 ' A' 1545 ' ' VAL . 5.3 m -97.52 118.01 33.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.776 HD11 ' HB2' ' A' 1543 ' ' TYR . 10.0 tp -68.65 104.43 1.98 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' 1562 ' ' THR . 4.4 mm? -68.13 -42.46 80.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -177.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.646 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 8.4 m-20 -150.94 155.42 39.07 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.171 -0.612 . . . . 0.0 112.39 -179.079 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.599 ' CD1' HD21 ' A' 1563 ' ' LEU . 8.9 mm -106.64 127.58 61.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.4 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.674 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 86.8 m-85 -112.41 -22.81 10.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.571 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.516 ' HB3' ' N ' ' A' 1542 ' ' ALA . 2.2 tmtp? -151.23 107.21 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.224 179.056 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . 0.851 HG22 ' H ' ' A' 1571 ' ' GLU . 16.4 m -43.12 134.91 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.392 -178.656 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.853 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -81.94 1.21 87.22 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.445 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.851 ' H ' HG22 ' A' 1569 ' ' THR . 6.9 tp10 72.65 -41.51 0.51 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.609 0.364 . . . . 0.0 111.679 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -97.53 83.95 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.325 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 94.4 t 46.57 81.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.332 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.561 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -103.7 134.75 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.58 179.562 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.826 ' HB3' ' HB3' ' A' 1578 ' ' SER . 9.9 tp10 -140.28 143.17 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 -179.616 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.646 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 14.5 ptmm? -80.73 44.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.491 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.536 ' HB3' ' O ' ' A' 1576 ' ' LYS . 3.9 p30 169.83 19.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.752 -179.456 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.826 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 47.5 p -73.97 -167.26 0.47 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.142 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -128.81 114.92 17.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.319 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.552 HD11 HG21 ' A' 1545 ' ' VAL . 19.0 pt -113.68 143.65 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.772 -179.48 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 2.6 m -116.27 125.55 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.644 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.521 ' HB3' HD11 ' A' 1621 ' ' LEU . 12.2 m-85 -91.95 115.54 28.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.14 0.495 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.811 HG13 HD12 ' A' 1618 ' ' ILE . 1.7 mm -98.01 123.95 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.455 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.787 ' HB2' HD12 ' A' 1621 ' ' LEU . 35.0 ttpt -144.19 162.09 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.978 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.512 ' N ' ' HG2' ' A' 1584 ' ' LYS . 95.9 mttt -103.92 -179.31 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' 1555 ' ' VAL . 17.2 m -88.64 4.92 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.1 p -90.21 -42.95 10.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' 1584 ' ' LYS . 2.0 m -59.59 99.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.665 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 89.5 m -86.47 -32.62 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.352 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.532 ' OD1' ' HA ' ' A' 1513 ' ' ASP . 17.5 m120 -71.65 -45.25 62.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.328 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -63.19 112.28 2.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -136.84 150.85 48.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.792 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.72 166.83 22.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 94.1 t -137.75 135.27 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.007 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.46 ' HA ' ' CG2' ' A' 1547 ' ' ILE . 27.9 ttpp -68.92 141.77 54.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 61.91 55.46 28.19 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.413 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -156.55 133.24 10.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 110.935 -179.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -67.38 130.08 41.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.037 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -128.68 121.02 27.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.555 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.697 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 53.7 tp -76.93 141.43 40.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.731 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.49 HG22 ' HE1' ' A' 1541 ' ' TYR . 62.5 mt -135.4 142.05 40.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.095 0.474 . . . . 0.0 111.788 -179.015 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.639 ' HG2' HG21 ' A' 1539 ' ' ILE . 31.3 ttp -159.91 109.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.146 179.626 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' 1539 ' ' ILE . . . -179.48 -177.82 48.02 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 119.903 -1.141 . . . . 0.0 113.709 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' 1538 ' ' GLU . 32.4 mmmt -52.91 161.17 0.82 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.974 0.416 . . . . 0.0 111.704 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.61 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 39.0 mt-10 -64.52 -171.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.301 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -97.65 -170.47 2.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.049 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.76 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.105 179.872 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 13.4 m-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.811 HD12 HG13 ' A' 1583 ' ' ILE . 24.5 pt -114.12 128.33 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.617 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.508 ' CE1' HG22 ' A' 1580 ' ' ILE . 43.9 m-85 -84.76 116.06 63.59 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 -179.3 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.78 -177.41 3.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.71 2.273 . . . . 0.0 112.578 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.787 HD12 ' HB2' ' A' 1584 ' ' LYS . 92.7 mt -137.9 81.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.465 ' O ' ' HA2' ' A' 1515 ' ' GLY . 10.0 m-20 -99.99 179.14 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 72.9 p -63.65 -19.25 64.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' 1625 ' ' THR . 1.4 pp -85.06 -14.85 45.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.042 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.573 ' N ' HD12 ' A' 1624 ' ' LEU . 48.9 m -70.17 98.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.602 ' HB3' ' HB3' ' A' 1602 ' ' MET . 58.8 t-105 -71.29 115.13 10.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.025 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.5 mt -122.35 124.87 71.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.626 179.63 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.697 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 10.3 tp10 -126.16 118.65 25.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.34 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 6.8 t80 -61.9 120.38 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -107.65 107.37 60.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.339 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.415 ' CG ' HD21 ' A' 1643 ' ' LEU . 87.4 Cg_exo -46.82 110.57 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.578 2.185 . . . . 0.0 112.359 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -51.96 -31.08 27.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.197 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -115.1 144.91 42.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.848 HG22 HD13 ' A' 1643 ' ' LEU . 42.9 p . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.036 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.453 ' CB ' HD12 ' A' 1643 ' ' LEU . 4.7 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.69 0.281 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.68 80.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 84.7 t80 -64.9 -20.17 66.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.742 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.848 HD13 HG22 ' A' 1634 ' ' THR . 65.6 mt -76.42 2.22 14.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.121 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -94.77 -40.15 9.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.751 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -68.48 -20.41 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.585 HD23 HH22 ' A' 1530 ' ' ARG . 84.4 mt -73.52 -30.8 63.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.654 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.38 -36.08 81.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . 0.434 ' OE2' ' HB3' ' A' 1527 ' ' ALA . 40.4 tt0 -64.07 -36.89 85.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 179.801 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.66 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 90.0 t80 -87.81 -15.09 37.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.615 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -53.17 -59.4 4.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.648 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . 0.494 ' HG3' HD12 ' A' 1655 ' ' LEU . 1.9 tp10 -91.19 -6.81 52.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.613 -179.211 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 17.6 t70 -79.5 -17.95 53.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.834 0.349 . . . . 0.0 110.797 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.481 HD12 ' HE3' ' A' 1531 ' ' LYS . 7.9 tp -98.01 -23.15 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.747 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 57.4 t80 -90.84 -50.24 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.573 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.494 HD12 ' HG3' ' A' 1651 ' ' GLU . 33.8 mt -84.76 -53.13 5.56 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.057 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.614 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -91.46 10.02 29.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.132 -179.567 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . -51.93 145.4 15.75 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.859 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.972 179.925 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.444 ' HB3' HD22 ' A' 1590 ' ' ASN . 4.8 p-10 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.813 0.34 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 63.2 m -97.0 32.71 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.184 0.516 . . . . 0.0 110.328 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 126.67 74.44 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.13 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -51.38 108.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.523 ' HE2' ' HB1' ' A' 1591 ' ' ALA . 26.4 mmt -56.82 120.61 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -64.03 176.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.453 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 2.1 mp0 -62.17 172.56 1.4 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -96.47 -85.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' 1642 ' ' PHE . 6.7 mp -103.37 103.06 13.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.228 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.453 ' OD1' ' HB3' ' A' 1519 ' ' GLU . 3.3 m-20 -142.38 106.88 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.546 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.503 HD23 ' HD1' ' A' 1642 ' ' PHE . 22.2 mt -72.02 1.93 6.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 71.1 p -73.99 -19.16 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.057 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 66.0 mt -99.52 136.81 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 53.5 m -90.46 178.72 6.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -92.61 -26.43 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' 1532 ' ' GLN . 14.7 mm-40 -77.73 -33.99 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 55.1 m -61.13 -31.93 71.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.543 HH22 HD13 ' A' 1646 ' ' LEU . 82.9 mtm180 -85.79 -35.38 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.521 ' O ' ' HD3' ' A' 1531 ' ' LYS . 12.4 tmtt? -62.5 -38.19 88.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' 1528 ' ' GLU . 80.2 mt-30 -58.31 -18.8 29.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.567 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.798 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 48.6 m -87.24 -26.24 23.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.838 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.88 92.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.3 t -89.17 2.75 53.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.971 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.798 ' HE3' ' HA ' ' A' 1533 ' ' THR . 36.6 ttmt -61.31 140.67 94.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.595 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' 1536 ' ' LYS . 11.6 Cg_endo -54.92 -44.27 51.29 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.727 2.285 . . . . 0.0 112.81 -179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.422 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.7 pt-20 -69.3 -4.56 18.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.594 HG13 HG22 ' A' 1533 ' ' THR . 39.6 mm -112.87 120.95 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -88.21 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.731 -179.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.871 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.9 p90 -107.32 162.09 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.165 0.507 . . . . 0.0 112.037 -179.008 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.605 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.1 97.64 2.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.174 179.301 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.719 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 3.7 p90 -150.07 170.67 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.092 0.472 . . . . 0.0 111.761 -179.395 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.47 ' HZ1' ' NE2' ' A' 1598 ' ' GLN . 60.6 tttm -106.22 135.14 48.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.454 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' 1563 ' ' LEU . 26.0 m -130.68 -175.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 111.378 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.815 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.8 t -149.68 128.92 12.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.985 -179.781 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.537 HD11 HD22 ' A' 1593 ' ' LEU . 44.3 mm -67.54 143.0 15.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.663 179.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . 0.436 HG22 ' HA ' ' A' 1561 ' ' ALA . 6.5 t -137.23 -19.1 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.788 -179.685 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.891 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 32.3 t -154.2 156.5 37.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.025 0.44 . . . . 0.0 111.56 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.425 HG12 ' HD1' ' A' 1559 ' ' TYR . 79.8 mt -142.71 123.97 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.488 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 88.4 m -132.38 130.18 40.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.384 . . . . 0.0 111.395 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.51 HG23 HG22 ' A' 1557 ' ' VAL . 5.0 p -119.76 132.13 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.75 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -93.22 -86.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.134 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 16.1 m120 -136.38 -74.83 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.006 -179.723 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 89.6 t -95.24 -41.16 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -98.1 127.0 43.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.223 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.51 HG22 HG23 ' A' 1552 ' ' VAL . 47.6 t -96.26 146.01 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.513 179.503 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.821 ' HG2' HG22 ' A' 1583 ' ' ILE . 90.3 mttt -124.28 151.68 43.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 111.354 -179.436 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.425 ' HD1' HG12 ' A' 1550 ' ' ILE . 99.5 m-85 -134.51 119.69 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.746 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.891 ' HB3' ' HB3' ' A' 1549 ' ' SER . 47.1 tptt -93.98 110.92 22.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.436 ' HA ' HG22 ' A' 1548 ' ' THR . . . -127.24 164.68 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 111.403 -179.641 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . 0.416 HG22 ' O ' ' A' 1563 ' ' LEU . 1.5 m -118.75 133.58 55.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.953 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.829 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.0 tt -63.68 148.5 48.88 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.815 HD11 ' HB2' ' A' 1546 ' ' SER . 91.5 mt -108.3 -53.62 2.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.157 179.518 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' 1543 ' ' TYR . 10.6 m-20 -156.52 140.55 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.091 179.452 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.719 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 70.8 mt -98.88 126.36 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.428 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.678 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -102.42 -20.58 14.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.352 0.596 . . . . 0.0 109.41 178.644 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.605 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.8 tttp -151.82 124.53 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.807 179.228 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . 0.53 HG22 ' H ' ' A' 1571 ' ' GLU . 3.7 m -48.28 159.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.034 0.445 . . . . 0.0 111.812 -179.134 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.871 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -102.2 -0.2 50.93 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.014 -179.35 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.53 ' H ' HG22 ' A' 1569 ' ' THR . 44.4 mt-10 74.56 -44.44 0.55 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.74 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -88.29 46.35 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.978 0.418 . . . . 0.0 110.182 179.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 80.6 t 63.14 88.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.182 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.555 ' HB1' HD13 ' A' 1566 ' ' ILE . . . -98.36 129.29 45.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.39 179.429 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.517 ' HB2' ' HB3' ' A' 1578 ' ' SER . 18.4 mm-40 -125.68 142.8 51.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.264 -179.491 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.462 ' HE2' ' OD1' ' A' 1565 ' ' ASP . 60.4 tttm -59.5 139.67 56.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.963 179.21 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.782 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.3 p30 48.32 32.88 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 111.223 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 61.4 p -68.82 -166.01 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.668 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . 0.484 ' CD ' ' HE3' ' A' 1560 ' ' LYS . 9.6 tp10 -112.15 122.92 49.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.44 179.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.664 HD12 ' HE1' ' A' 1582 ' ' PHE . 39.6 pt -122.41 142.72 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 111.825 -179.46 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.9 m -135.7 110.13 8.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.471 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.664 ' HE1' HD12 ' A' 1580 ' ' ILE . 61.7 m-85 -101.23 127.42 47.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.503 -179.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.821 HG22 ' HG2' ' A' 1558 ' ' LYS . 48.6 pt -118.71 152.92 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.987 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.688 ' HB3' HD23 ' A' 1621 ' ' LEU . 22.3 pttp -148.4 176.83 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.492 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -89.94 -168.49 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.5 p -97.54 -21.86 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.6 p -68.15 -16.1 63.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.298 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.465 ' HB2' ' H ' ' A' 1589 ' ' THR . 2.7 m -58.94 -85.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . 0.465 ' H ' ' HB2' ' A' 1588 ' ' CYS . 4.3 m 57.37 14.79 2.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.088 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.444 HD22 ' HB3' ' A' 1513 ' ' ASP . 82.7 m-20 -124.48 -29.55 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.523 ' HB1' ' HE2' ' A' 1517 ' ' MET . . . -103.17 98.64 8.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -135.74 119.4 17.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.537 HD22 HD11 ' A' 1547 ' ' ILE . 3.2 mp -98.02 119.36 36.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.496 HG12 ' OH ' ' A' 1599 ' ' TYR . 11.3 p -65.96 144.67 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' 1595 ' ' LYS . 6.0 ttpm? -82.14 113.75 20.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 131.26 -28.24 3.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.669 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -90.34 172.74 8.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.937 0.398 . . . . 0.0 111.224 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.47 ' NE2' ' HZ1' ' A' 1544 ' ' LYS . 20.7 mt-30 -116.07 146.64 42.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.611 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.496 ' OH ' HG12 ' A' 1594 ' ' VAL . 96.4 m-85 -141.16 158.81 43.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.057 0.456 . . . . 0.0 111.551 -179.536 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' 1543 ' ' TYR . 61.2 tp -106.28 123.92 48.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.989 179.226 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.533 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.5 mt -114.44 134.2 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.077 0.465 . . . . 0.0 112.02 -179.121 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . . . . . . . . . 66.0 mtp -147.27 112.68 5.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.073 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.528 ' HA2' HD12 ' A' 1539 ' ' ILE . . . 176.27 -166.46 37.52 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.097 -1.049 . . . . 0.0 113.52 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -48.67 151.33 1.18 Allowed 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.889 0.376 . . . . 0.0 111.447 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -73.47 -173.53 1.44 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.075 -179.822 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.404 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -84.72 148.18 26.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.071 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' 1607 ' ' LEU . 7.2 mp -89.28 115.93 27.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.496 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 38.7 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.496 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 2.9 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.668 0.271 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 46.7 pt -105.16 149.88 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' 1582 ' ' PHE . 52.5 m-85 -100.91 130.14 25.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -77.64 -167.23 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.587 2.191 . . . . 0.0 112.104 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' 1584 ' ' LYS . 49.6 tp -163.44 102.33 0.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.695 ' HB2' HD22 ' A' 1624 ' ' LEU . 9.5 m-20 -133.77 -164.48 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.802 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.2 p -80.41 10.83 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.709 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.695 HD22 ' HB2' ' A' 1622 ' ' ASP . 1.4 pt? -108.8 -2.68 18.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.343 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 58.7 m -85.7 129.27 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -95.31 112.26 24.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' 1600 ' ' LEU . 69.5 mt -123.82 127.26 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.87 120.71 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.717 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.455 ' HA ' ' CD1' ' A' 1599 ' ' TYR . 15.7 t80 -61.37 114.86 3.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.497 ' CZ2' ' HB3' ' A' 1646 ' ' LEU . 3.2 t90 -105.78 97.46 15.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.034 179.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.43 ' HB2' HD21 ' A' 1643 ' ' LEU . 87.2 Cg_exo -44.42 103.48 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.778 2.318 . . . . 0.0 112.592 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.41 ' HA ' ' NE2' ' A' 1598 ' ' GLN . 31.7 ptt180 -57.17 -24.46 54.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.73 126.77 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.577 HG22 HD13 ' A' 1643 ' ' LEU . 71.5 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.244 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.782 0.325 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -55.75 -29.66 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.269 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.503 ' HD1' HD23 ' A' 1523 ' ' LEU . 90.4 t80 -94.32 -33.6 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.59 ' HA ' HD23 ' A' 1646 ' ' LEU . 65.2 mt -65.15 -12.49 51.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.3 74.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -75.21 -29.54 60.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' 1643 ' ' LEU . 3.8 mm? -68.93 -28.39 66.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.85 -43.86 91.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.08 -25.34 68.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.457 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 84.5 t80 -87.27 -29.97 21.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -69.69 -23.14 63.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.279 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -98.14 -34.42 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.28 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.789 ' HA ' HD21 ' A' 1656 ' ' ASN . 14.3 t70 -53.6 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.549 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.696 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 8.5 tp -55.67 -26.17 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.614 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . 0.525 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 13.8 t80 -76.52 -32.29 58.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.479 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.525 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 93.2 mt -99.07 -74.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.907 0.385 . . . . 0.0 111.363 -178.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.789 HD21 ' HA ' ' A' 1652 ' ' ASP . 1.8 p30 -76.15 -55.52 5.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.417 -179.62 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.696 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 61.92 -158.53 33.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . 0.505 ' HB2' ' HZ1' ' A' 1531 ' ' LYS . 44.1 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' 1590 ' ' ASN . 9.5 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.478 0.18 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' 1516 ' ' GLN . 97.7 m 59.43 -152.82 0.39 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.168 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -53.13 84.57 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.883 178.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' 1514 ' ' CYS . 29.5 tt0 -43.59 -31.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.43 0.292 . . . . 0.0 111.36 -179.508 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' 1516 ' ' GLN . 25.1 ptm 44.3 -162.96 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.598 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . 0.686 ' HA ' HE21 ' A' 1518 ' ' GLN . 0.0 OUTLIER -134.38 165.41 25.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.11 167.81 6.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.42 -80.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.07 105.72 17.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -136.82 105.46 5.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 73.2 mt -97.57 99.66 11.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.23 -179.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 10.1 t -176.25 -20.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.6 mt -90.09 118.83 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.7 p -80.16 171.79 14.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.08 -1.19 38.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -104.74 -36.47 7.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.7 m -64.06 -45.03 90.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.627 ' NH2' HD13 ' A' 1600 ' ' LEU . 16.1 ptm180 -78.82 -10.77 59.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.015 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.715 ' HE2' HD13 ' A' 1653 ' ' ILE . 27.4 tptp -86.03 -24.7 26.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' 1528 ' ' GLU . 84.8 mm-40 -59.26 -16.48 21.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.955 0.407 . . . . 0.0 110.655 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.81 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 50.9 m -90.88 -30.24 17.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.953 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.592 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -68.5 -26.6 65.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.0 t -85.5 0.6 51.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.993 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.81 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.0 mtmt -90.65 142.23 27.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 32.4 Cg_exo -58.29 -24.93 70.2 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.61 -33.2 73.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.706 HG13 HG22 ' A' 1533 ' ' THR . 41.0 mm -99.05 106.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.438 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -78.68 -58.21 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.474 ' HE1' HG22 ' A' 1601 ' ' ILE . 2.0 p90 -108.17 163.09 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.325 0.583 . . . . 0.0 111.955 -179.231 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.625 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -154.8 121.16 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.222 179.25 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' 1565 ' ' ASP . 0.6 OUTLIER -170.2 -176.77 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.259 0.552 . . . . 0.0 112.264 -179.176 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -112.96 126.87 55.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.373 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' 1563 ' ' LEU . 17.4 m -121.01 -179.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.351 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.716 ' HB2' HD11 ' A' 1564 ' ' LEU . 21.7 t -152.28 125.71 8.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' 1561 ' ' ALA . 40.4 mm -66.71 143.46 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 70.7 p -131.43 -22.03 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.59 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.808 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 47.2 t -150.73 160.6 43.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.972 0.415 . . . . 0.0 111.232 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 83.4 mt -135.96 115.12 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . 0.881 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 50.7 m -97.28 126.07 42.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.645 HG22 HG13 ' A' 1557 ' ' VAL . 93.4 t -125.52 128.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.995 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -115.69 -75.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -147.71 -69.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 30.7 t -104.94 -46.29 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -90.72 108.55 19.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.645 HG13 HG22 ' A' 1552 ' ' VAL . 61.8 t -92.92 108.55 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.714 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.881 ' HB2' ' HB ' ' A' 1551 ' ' THR . 34.1 mmtp -79.02 159.04 27.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -140.51 121.46 14.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.808 ' HB3' ' HB3' ' A' 1549 ' ' SER . 24.4 tptm -94.17 123.72 37.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.524 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.08 -179.9 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 111.674 -179.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 4.2 m -142.67 127.45 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.714 HD21 HG12 ' A' 1566 ' ' ILE . 14.3 tp -67.84 107.8 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.601 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' 1546 ' ' SER . 85.3 mt -63.41 -49.48 73.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.287 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' 1543 ' ' TYR . 18.4 t70 -158.74 149.32 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.714 HG12 HD21 ' A' 1563 ' ' LEU . 53.2 mt -87.97 139.82 16.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.153 0.501 . . . . 0.0 112.105 -179.349 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' 1542 ' ' ALA . 17.6 m-85 -116.91 -20.94 9.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.022 178.105 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 63.0 tttp -162.34 108.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.415 179.5 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 91.3 m -41.39 142.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.344 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.794 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -95.45 132.43 11.09 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.163 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.36 -27.98 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.844 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -89.73 41.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.638 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 79.6 t 55.75 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.227 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.794 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.53 133.12 55.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.661 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.592 ' O ' HD23 ' A' 1563 ' ' LEU . 40.1 mt-10 -131.66 152.94 50.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.851 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.547 ' N ' HD11 ' A' 1566 ' ' ILE . 9.2 ptpp? -62.78 148.76 45.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.438 179.777 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.1 p30 47.55 29.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.337 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 32.5 t -79.6 -168.89 1.71 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.591 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -109.42 143.94 38.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.483 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.48 HD12 ' CE2' ' A' 1582 ' ' PHE . 4.1 pt -148.13 149.97 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 111.797 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 59.4 m -134.19 117.67 16.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.629 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.614 ' HA ' ' O ' ' A' 1619 ' ' TYR . 67.6 m-85 -108.7 123.42 48.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.343 0.592 . . . . 0.0 111.364 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.518 HG12 ' HD2' ' A' 1558 ' ' LYS . 33.7 mt -92.23 133.87 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.323 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.42 ' HB2' HD12 ' A' 1621 ' ' LEU . 28.7 ttpt -134.61 142.59 46.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.31 179.291 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -90.09 159.33 16.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.5 p -69.11 -26.11 31.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.6 p -72.54 -13.89 61.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 67.0 m -65.55 112.75 3.75 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 52.3 m -110.59 -30.23 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' 1513 ' ' ASP . 17.3 m120 -86.37 -22.8 26.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -93.06 106.73 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.976 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -114.95 141.18 48.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.989 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.7 mt -138.63 119.91 14.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.537 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 58.5 t -104.34 138.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.516 ' NZ ' ' HB3' ' A' 1595 ' ' LYS . 5.9 ttpm? -79.68 121.18 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 106.67 -8.01 39.61 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.684 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.537 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 90.2 mtt180 -99.17 172.66 7.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.99 0.424 . . . . 0.0 111.4 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.557 ' HG2' HD11 ' A' 1564 ' ' LEU . 48.0 mt-30 -109.88 138.11 46.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.766 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -142.18 129.91 21.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.342 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.627 HD13 ' NH2' ' A' 1530 ' ' ARG . 6.0 tt -80.29 139.64 36.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.618 ' N ' HD23 ' A' 1600 ' ' LEU . 86.2 mt -133.19 137.69 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.203 0.525 . . . . 0.0 112.178 -179.219 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.569 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 77.2 mtp -142.19 117.7 10.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.984 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.493 ' N ' HG23 ' A' 1539 ' ' ILE . . . -171.29 176.4 44.59 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.138 -1.03 . . . . 0.0 113.29 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.625 ' HD2' ' N ' ' A' 1604 ' ' LYS . 0.0 OUTLIER -61.54 177.44 0.39 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.944 0.402 . . . . 0.0 111.215 -179.795 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.844 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.0 pt-20 -70.38 176.12 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.468 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -89.67 -171.72 3.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.8 mt -109.56 -171.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.412 ' HB3' ' CE1' ' A' 1617 ' ' TYR . 20.3 pt20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' 1608 ' ' GLN . 4.8 m-85 . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.832 0.349 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 40.5 pt -103.09 161.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' 1582 ' ' PHE . 24.4 m-85 -121.79 119.62 28.95 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.63 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -77.9 -173.57 1.87 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.29 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.42 HD12 ' HB2' ' A' 1584 ' ' LYS . 97.0 mt -144.59 94.2 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.711 179.663 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.513 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 9.8 m-20 -115.27 -174.3 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' 1514 ' ' CYS . 78.7 p -68.92 -8.86 48.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.676 -179.456 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.513 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.1 pt? -98.02 -7.88 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.334 . . . . 0.0 110.994 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.2 m -77.33 111.44 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.569 ' HB3' ' HB2' ' A' 1602 ' ' MET . 62.6 t-105 -72.82 116.39 13.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' 1600 ' ' LEU . 70.0 mt -133.99 105.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -108.15 122.25 46.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.475 ' O ' ' HD3' ' A' 1631 ' ' PRO . 67.5 t80 -58.0 122.92 14.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -96.57 104.29 17.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.138 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.741 ' HB2' HD21 ' A' 1643 ' ' LEU . 87.4 Cg_exo -47.2 99.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.586 2.191 . . . . 0.0 112.519 -179.546 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.516 ' O ' ' HD3' ' A' 1632 ' ' ARG . 3.7 tmt_? -61.37 -38.66 87.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.674 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.68 134.6 33.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.913 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.783 ' HA ' HD23 ' A' 1643 ' ' LEU . 20.6 pt20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -84.48 -29.44 26.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.547 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 58.5 t80 -68.33 -28.19 66.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.761 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -69.9 -28.87 65.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.73 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -80.17 -14.49 58.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.736 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.77 -26.18 21.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -61.38 -40.8 95.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' 1652 ' ' ASP . 41.1 tt0 -66.69 -31.42 72.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' 1653 ' ' ILE . 88.4 t80 -79.81 -25.27 40.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.792 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.37 -66.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.294 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -69.31 -4.24 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.143 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.608 ' HA ' HD21 ' A' 1656 ' ' ASN . 10.4 t70 -79.43 -74.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.715 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.5 tp -60.79 -29.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.203 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 54.4 t80 -70.83 -39.58 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.368 -179.655 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' 1655 ' ' LEU . 2.3 tm? -105.17 -75.07 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.91 0.386 . . . . 0.0 111.072 -179.233 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.608 HD21 ' HA ' ' A' 1652 ' ' ASP . 3.7 p30 -81.72 28.26 0.42 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.574 -179.393 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -59.98 158.36 25.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.554 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.903 -179.989 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.577 0.227 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.462 ' O ' ' HB3' ' A' 1588 ' ' CYS . 42.8 t 47.0 77.98 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.044 0.449 . . . . 0.0 110.221 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.672 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 103.52 40.65 2.33 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.595 -178.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.516 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 8.6 tt0 -49.3 112.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.288 -0.456 . . . . 0.0 111.179 -179.561 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' 1515 ' ' GLY . 86.5 mtp -102.41 178.93 4.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -101.89 161.28 13.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.0 -178.9 0.83 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -85.34 -87.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.083 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 60.6 mt -101.39 99.54 9.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.57 ' HB3' HG22 ' A' 1524 ' ' THR . 3.9 m-20 -147.58 102.1 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.585 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.28 8.35 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.974 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . 0.57 HG22 ' HB3' ' A' 1522 ' ' ASP . 6.5 t -66.7 -26.43 67.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.494 HG13 HG23 ' A' 1524 ' ' THR . 66.2 mt -94.25 132.6 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.998 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.6 m -85.57 176.59 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.29 -31.15 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.6 mt-10 -78.94 -29.91 44.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 46.3 m -61.86 -26.19 67.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.517 HH22 HD12 ' A' 1646 ' ' LEU . 33.4 mtm180 -95.42 -34.86 11.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.724 ' HE3' HD13 ' A' 1653 ' ' ILE . 22.2 tptm -64.77 -39.28 93.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' 1536 ' ' LYS . 49.9 mt-30 -59.25 -17.94 32.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.521 179.646 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.837 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 96.8 m -80.93 -40.95 23.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.798 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.532 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -63.39 -30.57 71.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.224 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 99.6 m -75.3 -23.14 57.3 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.837 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.9 mtmt -61.52 148.98 85.3 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.28 -11.33 31.81 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.536 2.157 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.489 ' O ' HD13 ' A' 1539 ' ' ILE . 12.2 pt-20 -83.34 2.69 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' 1603 ' ' GLY . 41.3 mm -128.75 113.62 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.09 -62.15 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.464 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.533 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.6 p90 -104.46 159.04 16.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.733 -179.096 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.75 98.82 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.236 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.73 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 6.8 p90 -148.29 176.82 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.072 0.463 . . . . 0.0 111.9 -179.208 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 83.3 tttt -115.09 133.58 55.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.418 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.825 HG12 ' HA ' ' A' 1563 ' ' LEU . 16.8 m -130.07 -173.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 111.377 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 11.2 t -152.14 126.98 9.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.779 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.467 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.2 mm -59.52 145.78 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 69.9 p -132.38 -16.4 2.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.63 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.745 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 36.0 t -162.09 159.51 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 111.498 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -137.54 113.5 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.616 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 60.4 m -100.79 137.36 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.321 -179.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 87.2 t -135.27 123.33 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.04 -81.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -149.73 -67.81 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.998 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' 1586 ' ' VAL . 66.2 t -105.38 -34.08 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.185 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -99.28 113.43 25.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.577 ' HB ' ' HG3' ' A' 1584 ' ' LYS . 47.9 t -91.92 147.86 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.628 179.769 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.823 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.7 mttt -132.89 152.39 51.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.926 0.393 . . . . 0.0 111.346 -179.633 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.611 ' HE2' ' HD3' ' A' 1584 ' ' LYS . 98.9 m-85 -138.08 112.51 8.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.689 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.745 ' HB3' ' HB3' ' A' 1549 ' ' SER . 24.2 tptm -89.3 127.19 35.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.501 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.467 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -141.05 160.1 40.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 111.615 -179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -113.34 138.06 50.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.027 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.825 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.0 tt -71.45 139.73 49.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.624 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.608 ' N ' HD23 ' A' 1563 ' ' LEU . 9.2 mp -97.96 -56.46 2.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.969 0.414 . . . . 0.0 110.476 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' A' 1543 ' ' TYR . 9.3 m-20 -154.51 148.05 25.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.269 179.722 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.73 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 62.5 mt -107.04 129.45 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 111.902 -179.637 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.519 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -102.45 -19.44 14.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.747 178.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.635 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.7 tttp -148.71 113.46 5.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.029 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 85.8 m -47.04 147.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.17 0.51 . . . . 0.0 111.759 -179.293 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.801 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.39 133.86 11.5 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.222 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 35.5 mt-10 -58.08 -27.24 63.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.742 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.82 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -91.1 40.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.427 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.4 t 56.2 89.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.227 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.801 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.38 128.56 54.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.707 179.573 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.431 ' O ' HD13 ' A' 1563 ' ' LEU . 19.8 mm-40 -128.07 144.63 51.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.912 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.608 ' HE3' ' HB ' ' A' 1566 ' ' ILE . 12.6 mptt -59.09 127.73 33.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.745 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.2 t70 64.65 42.23 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.061 0.458 . . . . 0.0 110.827 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.536 ' H ' ' HB3' ' A' 1563 ' ' LEU . 60.3 p -87.72 -165.84 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.762 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.69 134.85 54.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.771 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.68 HD12 ' HE1' ' A' 1582 ' ' PHE . 31.9 pt -139.23 140.53 37.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.493 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 37.9 m -132.9 120.7 21.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.77 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.68 ' HE1' HD12 ' A' 1580 ' ' ILE . 61.8 m-85 -109.72 118.93 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.123 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.823 HG22 ' HG2' ' A' 1558 ' ' LYS . 40.2 pt -105.6 169.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.611 ' HD3' ' HE2' ' A' 1559 ' ' TYR . 19.3 ptmt -170.01 -170.95 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 111.055 -179.615 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' 1585 ' ' LYS . 12.4 mptt -115.17 -175.61 2.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.654 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' 1555 ' ' VAL . 28.3 m -95.84 15.8 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.9 p -108.55 -24.46 11.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.465 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' 1514 ' ' CYS . 8.0 m -69.75 88.7 0.54 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.91 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 21.9 m -93.56 69.19 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.516 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 22.3 t-20 -173.37 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.672 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -95.74 96.74 9.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.894 0.378 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -126.43 137.62 53.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.462 HD13 HD11 ' A' 1547 ' ' ILE . 85.7 mt -123.43 140.07 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 57.3 t -101.63 133.37 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.998 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.58 133.25 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 65.48 64.05 3.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.549 ' HE ' ' HE1' ' A' 1629 ' ' TYR . 32.6 ttt180 -157.36 145.05 18.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.684 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -82.71 137.45 34.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.988 0.423 . . . . 0.0 111.589 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.523 ' OH ' ' HD3' ' A' 1597 ' ' ARG . 75.2 m-85 -146.25 139.95 26.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.849 179.761 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' 1627 ' ' ILE . 47.0 tp -85.6 136.67 33.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.38 179.518 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.533 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.4 mt -134.66 125.8 46.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.951 0.405 . . . . 0.0 111.933 -179.531 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.532 ' SD ' ' HB2' ' A' 1534 ' ' ALA . 41.9 mtm -143.38 114.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.875 179.174 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.546 ' N ' HG23 ' A' 1539 ' ' ILE . . . -170.86 179.39 42.82 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.11 -1.043 . . . . 0.0 113.324 -179.295 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' 1538 ' ' GLU . 13.6 mmmm -57.5 170.49 0.54 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.82 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.1 pt-20 -61.58 176.18 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -92.87 -177.09 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.254 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.3 mt -81.97 -163.33 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.785 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.216 179.918 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 21.6 m-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.717 0.294 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 37.3 pt -103.15 162.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.016 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 43.1 m-85 -112.84 138.31 22.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.64 -21.28 19.37 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.558 2.172 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' 1583 ' ' ILE . 61.3 tp 57.01 97.53 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -146.87 -167.56 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 65.7 p -59.67 -32.07 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.179 -179.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 47.9 tp -61.8 -27.96 69.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.837 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 30.6 m -77.65 106.36 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.196 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -76.02 103.6 6.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' 1600 ' ' LEU . 65.8 mt -116.52 134.21 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -134.48 145.03 48.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.549 ' HE1' ' HE ' ' A' 1597 ' ' ARG . 10.1 t80 -76.99 119.72 21.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.463 ' CE3' HD23 ' A' 1646 ' ' LEU . 2.4 t-105 -104.73 101.59 29.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.135 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.708 ' HB2' HD11 ' A' 1643 ' ' LEU . 80.7 Cg_exo -45.26 111.06 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.64 2.227 . . . . 0.0 112.392 -179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.509 ' HD2' ' HG3' ' A' 1597 ' ' ARG . 80.8 mtp180 -47.63 -37.05 11.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.366 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 7.7 t70 -146.67 176.92 9.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.787 ' HB ' ' HB3' ' A' 1640 ' ' GLN . 72.9 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.295 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.787 ' HB3' ' HB ' ' A' 1634 ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.789 0.328 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.55 -14.57 61.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.767 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.431 ' O ' HD13 ' A' 1646 ' ' LEU . 54.3 t80 -90.95 -32.86 15.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.78 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.736 HD23 ' HA ' ' A' 1640 ' ' GLN . 3.0 mm? -72.01 -23.03 61.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.807 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.66 -20.1 60.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -87.03 -48.32 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.767 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.517 HD12 HH22 ' A' 1530 ' ' ARG . 9.9 mp -63.69 -27.07 68.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.69 -25.17 67.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.29 -35.04 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.658 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.458 ' O ' HG22 ' A' 1653 ' ' ILE . 82.6 t80 -72.92 -25.03 60.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.683 179.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.92 -63.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.288 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.39 -8.13 54.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -74.45 -69.24 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.786 HD12 ' HA2' ' A' 1657 ' ' GLY . 6.0 tp -62.07 -27.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.46 -53.81 12.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.275 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 40.6 tp -82.07 -63.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.637 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -64.71 -72.32 0.15 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.092 -179.793 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.786 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 73.23 152.6 2.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.553 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.974 -179.983 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.474 ' HA ' ' CG ' ' A' 1590 ' ' ASN . 4.7 p-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.615 0.245 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.51 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 14.3 t -50.11 105.05 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.419 179.578 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 80.52 42.0 10.71 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.81 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -44.62 116.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.868 0.366 . . . . 0.0 111.247 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 63.7 mtt -100.01 153.43 19.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . 0.677 ' HA ' HE21 ' A' 1518 ' ' GLN . 0.0 OUTLIER -91.74 177.93 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.9 147.86 51.91 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.65 -20.81 64.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 68.8 mt -149.41 99.91 2.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.809 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -133.33 105.32 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.739 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 64.6 mt -81.99 10.7 6.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.007 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 73.7 p -86.47 -40.9 14.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 74.5 mt -77.92 130.77 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 87.7 p -88.63 -173.76 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -87.38 1.59 52.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -117.77 -30.76 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 85.4 m -62.98 -37.28 86.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.268 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.412 ' HB2' ' CZ2' ' A' 1626 ' ' TRP . 19.9 ptt180 -98.18 -5.07 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.8 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.552 ' NZ ' ' HA ' ' A' 1653 ' ' ILE . 1.5 tmtp? -84.04 -31.06 25.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.678 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.7 mm-40 -54.03 -27.31 31.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.941 0.401 . . . . 0.0 110.443 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.648 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 89.3 m -74.17 -32.45 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.852 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -67.75 2.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.629 -179.729 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 42.3 t -131.03 -11.97 3.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.659 0.266 . . . . 0.0 111.482 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.648 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.1 mtmt -60.04 153.73 54.17 Favored Pre-proline 0 C--N 1.332 -0.162 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.17 -28.78 73.53 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.678 2.252 . . . . 0.0 112.147 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.55 -12.34 61.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.629 HG13 HG22 ' A' 1533 ' ' THR . 40.7 mm -115.41 135.32 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.194 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' 1603 ' ' GLY . . . -104.25 -67.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.342 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.52 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.3 p90 -98.88 158.12 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.585 -179.297 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.637 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -146.34 98.48 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.258 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.685 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 4.8 p90 -151.68 169.75 21.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.076 0.465 . . . . 0.0 111.942 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 83.1 tttt -102.31 138.04 39.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.702 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.921 HG12 ' HA ' ' A' 1563 ' ' LEU . 33.9 m -137.54 175.14 10.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.313 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.468 ' CB ' HD11 ' A' 1564 ' ' LEU . 11.3 t -142.11 142.04 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.806 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.495 HD13 ' HB2' ' A' 1561 ' ' ALA . 38.5 mm -84.77 137.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.624 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 34.5 p -130.84 -42.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.431 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.577 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 71.1 m -119.03 142.39 47.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.322 -179.377 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.8 129.34 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 60.4 m -136.72 139.1 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.63 HG22 HG13 ' A' 1557 ' ' VAL . 90.8 t -121.18 124.97 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 179.844 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -92.29 -82.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -149.74 -71.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 24.5 t -100.4 -32.03 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -108.8 113.0 25.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.63 HG13 HG22 ' A' 1552 ' ' VAL . 32.0 t -82.04 132.07 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.76 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.665 ' HA ' HG22 ' A' 1583 ' ' ILE . 32.6 mmtp -98.99 144.3 28.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.465 -179.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.519 ' HB2' ' O ' ' A' 1582 ' ' PHE . 68.1 m-85 -140.46 122.06 15.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.792 179.424 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.577 ' HB2' ' HB2' ' A' 1549 ' ' SER . 14.4 mmmm -107.1 126.32 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.429 179.625 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.495 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -133.03 179.22 6.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.002 0.43 . . . . 0.0 111.652 -179.62 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 6.7 m -128.9 142.18 51.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.921 ' HA ' HG12 ' A' 1545 ' ' VAL . 1.0 OUTLIER -78.43 98.59 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.548 HD13 ' HA ' ' A' 1545 ' ' VAL . 8.0 mp -58.44 -44.04 89.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.663 0.268 . . . . 0.0 111.117 -179.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.3 t70 -171.7 143.89 1.76 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.722 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.685 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 63.2 mt -96.1 130.78 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.013 0.435 . . . . 0.0 112.054 -179.452 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.6 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 55.8 m-85 -107.98 -17.47 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.518 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.637 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 86.7 tttt -157.38 113.45 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.799 179.093 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 37.5 m -46.19 147.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.168 0.509 . . . . 0.0 111.666 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.722 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -109.92 135.47 12.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.376 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.595 ' HB2' ' HG2' ' A' 1605 ' ' GLU . 38.6 mt-10 -62.5 -18.85 62.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.625 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' 1605 ' ' GLU . . . -86.6 42.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.509 179.479 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.2 t 53.18 73.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.725 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.722 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -89.52 147.9 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.63 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.439 ' O ' HD13 ' A' 1563 ' ' LEU . 9.9 tp10 -154.81 137.59 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -49.24 117.56 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.626 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.6 t70 65.19 48.45 2.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.967 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.419 ' OG ' HD12 ' A' 1563 ' ' LEU . 60.0 p -88.65 -165.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.539 179.288 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -118.75 117.68 29.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.715 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.583 HD13 HG11 ' A' 1545 ' ' VAL . 28.0 pt -113.35 144.13 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.225 -179.723 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . 0.42 HG23 ' HD2' ' A' 1560 ' ' LYS . 2.9 m -127.05 100.86 6.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.256 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.644 ' HA ' ' O ' ' A' 1619 ' ' TYR . 50.3 m-85 -98.27 135.42 39.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.702 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.665 HG22 ' HA ' ' A' 1558 ' ' LYS . 35.6 pt -134.47 152.76 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 111.618 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.641 ' NZ ' ' HA ' ' A' 1586 ' ' VAL . 7.9 ptmm? -126.91 170.89 11.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.035 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.547 ' O ' HG12 ' A' 1586 ' ' VAL . 97.7 mttt -93.67 31.05 1.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.113 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.641 ' HA ' ' NZ ' ' A' 1584 ' ' LYS . 4.3 p 46.69 20.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.872 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . 0.503 HG23 ' O ' ' A' 1585 ' ' LYS . 41.7 p -121.44 -24.14 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.129 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.51 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 13.2 m -60.38 111.82 1.71 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.774 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 78.3 m -95.43 -33.12 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.559 HD22 ' N ' ' A' 1590 ' ' ASN . 0.9 OUTLIER -79.47 7.0 8.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.185 -179.742 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -137.08 109.4 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.181 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.16 108.68 8.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 89.6 mt -93.37 141.01 28.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 8.3 p -138.18 140.41 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.058 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.464 ' O ' ' HD3' ' A' 1595 ' ' LYS . 0.0 OUTLIER -67.81 155.2 39.87 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 93.13 -31.31 6.39 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.598 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -95.28 171.84 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 111.322 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -121.82 143.75 49.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -140.56 141.95 35.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.354 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' 1627 ' ' ILE . 57.6 tp -90.06 127.16 36.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.829 179.134 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.52 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.4 mt -122.53 131.54 73.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.174 0.512 . . . . 0.0 112.304 -179.012 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.45 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 31.0 mtm -145.01 115.9 7.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.567 179.006 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.538 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -175.72 -171.73 39.88 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 119.872 -1.156 . . . . 0.0 113.784 -179.255 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -46.89 158.81 0.12 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.94 0.4 . . . . 0.0 111.601 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' 1572 ' ' ALA . 0.0 OUTLIER -81.47 43.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.622 -179.527 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . 50.19 -165.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.097 0.475 . . . . 0.0 111.614 179.449 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' 1607 ' ' LEU . 6.4 mp -94.48 171.23 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.25 179.438 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.95 -179.99 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.753 0.311 . . . . 0.0 111.459 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.437 ' O ' ' HB1' ' A' 1606 ' ' ALA . 47.3 pt -136.02 132.77 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.372 178.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' A' 1582 ' ' PHE . 9.3 m-85 -80.09 120.62 80.26 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.395 -178.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -85.55 -168.74 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.834 2.356 . . . . 0.0 112.441 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' 1584 ' ' LYS . 82.3 mt -144.91 103.98 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -129.55 179.0 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.4 p -69.12 -16.19 63.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' 1625 ' ' THR . 1.9 pp -85.7 -10.31 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.097 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.484 ' N ' HD12 ' A' 1624 ' ' LEU . 62.4 m -78.05 110.14 12.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.018 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' 1601 ' ' ILE . 68.6 t-105 -74.54 113.43 11.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' 1600 ' ' LEU . 67.7 mt -131.19 109.29 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.91 120.28 34.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.453 ' O ' ' HD3' ' A' 1631 ' ' PRO . 87.6 t80 -57.96 128.15 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -94.02 107.04 25.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.346 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.557 ' HB2' HD21 ' A' 1643 ' ' LEU . 75.4 Cg_exo -50.14 113.91 1.2 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.586 2.19 . . . . 0.0 112.546 -179.691 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -79.68 -28.87 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.712 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.71 127.83 32.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.482 HG22 ' HG ' ' A' 1643 ' ' LEU . 77.1 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.743 ' HA ' HD23 ' A' 1643 ' ' LEU . 29.6 pt20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.77 0.319 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.1 -27.77 68.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.401 ' CD2' ' HG2' ' A' 1631 ' ' PRO . 65.5 t80 -75.29 -38.05 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.78 ' HA ' HD23 ' A' 1646 ' ' LEU . 2.8 mm? -65.4 -16.63 63.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.47 -21.22 65.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -84.82 -33.34 22.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.78 HD23 ' HA ' ' A' 1643 ' ' LEU . 3.5 mm? -64.65 -32.51 74.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.64 -42.95 99.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.56 -35.74 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.5 ' O ' HG22 ' A' 1653 ' ' ILE . 87.7 t80 -66.69 -31.66 72.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -71.39 -21.7 61.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.398 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -110.26 -3.91 15.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.171 -179.441 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.729 ' HA ' HD22 ' A' 1656 ' ' ASN . 17.1 t70 -91.24 -70.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.552 ' HA ' ' NZ ' ' A' 1531 ' ' LYS . 0.0 OUTLIER -57.76 -28.34 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 62.4 t80 -75.44 -52.67 10.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.419 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.8 tt -84.15 -69.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.392 . . . . 0.0 110.826 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.729 HD22 ' HA ' ' A' 1652 ' ' ASP . 27.6 m-80 -54.18 -77.29 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.31 -179.683 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 69.65 151.82 0.59 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.518 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.017 -179.944 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.733 0.301 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' 1591 ' ' ALA . 16.1 t -49.73 134.92 19.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.623 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 83.21 -51.77 4.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.26 -179.754 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' A' 1515 ' ' GLY . 23.9 tp60 72.21 -63.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.766 0.426 . . . . 0.0 111.44 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' 1517 ' ' MET . 23.3 ptm 42.41 99.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.23 0.538 . . . . 0.0 111.848 -179.723 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' A' 1518 ' ' GLN . 1.8 mp0 -53.37 162.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.217 -179.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.38 155.27 15.08 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.06 118.09 23.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.769 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.9 mt 59.63 95.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -142.97 121.58 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 88.3 mt -86.21 15.68 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 77.1 p -86.45 -26.17 24.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.73 138.93 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.087 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 35.9 t -89.64 177.31 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -78.07 -30.8 49.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.225 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.6 mt-10 -82.77 -38.43 23.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 77.4 m -57.75 -45.86 85.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -70.55 -17.72 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.484 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.5 tmtp? -86.57 -23.4 25.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.655 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.9 mm-40 -55.94 -18.43 9.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.666 179.719 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.738 HG22 HG13 ' A' 1539 ' ' ILE . 37.9 m -91.02 -28.37 18.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.581 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -73.18 1.48 9.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.503 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.7 t -126.62 -0.8 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.263 -179.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.681 ' HG3' ' HA ' ' A' 1533 ' ' THR . 98.1 mttt -62.92 145.79 95.99 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.804 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.41 -17.9 29.04 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.51 2.14 . . . . 0.0 112.024 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.682 ' HG3' ' HE2' ' A' 1604 ' ' LYS . 36.1 tt0 -85.0 -64.06 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.738 HG13 HG22 ' A' 1533 ' ' THR . 43.6 mm -53.84 109.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.331 -179.735 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.863 ' HB3' ' H ' ' A' 1605 ' ' GLU . . . -78.9 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.41 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.555 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 6.3 p90 -99.71 155.84 17.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.803 -179.049 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -148.12 89.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.804 179.274 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.753 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 10.1 p90 -141.95 166.61 24.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 112.067 -178.8 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.515 ' NZ ' ' HB3' ' A' 1544 ' ' LYS . 4.6 ttpm? -105.51 134.0 49.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.259 179.508 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.823 HG12 ' HA ' ' A' 1563 ' ' LEU . 36.0 m -125.78 -174.77 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 111.606 -179.63 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.75 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.4 t -150.78 122.72 8.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.772 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.452 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 43.6 mm -64.74 143.07 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 47.7 p -128.63 -32.52 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.439 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.406 ' HA ' ' HE3' ' A' 1595 ' ' LYS . 74.1 m -150.66 152.18 33.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.346 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.434 HG12 ' HD1' ' A' 1559 ' ' TYR . 75.8 mt -128.84 137.42 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 60.7 m -138.13 140.56 39.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.518 HG23 HG22 ' A' 1557 ' ' VAL . 9.3 p -142.8 144.77 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -113.3 -66.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -132.99 -71.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' 1556 ' ' PHE . 6.5 m -111.96 -51.23 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.284 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.441 ' N ' HG23 ' A' 1555 ' ' VAL . 90.4 m-85 -71.67 124.34 24.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.821 179.875 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.518 HG22 HG23 ' A' 1552 ' ' VAL . 24.8 t -108.94 110.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.792 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' 1558 ' ' LYS . 0.7 OUTLIER -81.66 151.6 27.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.731 179.766 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.434 ' HD1' HG12 ' A' 1550 ' ' ILE . 93.5 m-85 -135.69 111.46 9.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -87.82 108.83 19.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.149 179.379 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -133.4 156.87 46.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.006 0.431 . . . . 0.0 111.71 -179.366 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.8 m -105.35 136.02 45.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.863 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.823 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.7 tt -67.44 140.96 57.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' 1546 ' ' SER . 86.3 mt -98.25 -45.3 6.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.999 -179.609 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.2 t70 -167.7 138.57 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.795 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.753 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.5 mt -101.61 122.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.96 0.409 . . . . 0.0 111.914 -179.479 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -97.83 -15.68 20.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.529 178.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.411 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 61.9 tttm -153.46 111.16 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.771 179.328 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 58.8 m -43.47 144.65 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.165 0.507 . . . . 0.0 112.058 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.805 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.52 132.33 10.92 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.559 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.477 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 39.9 mt-10 -60.6 -23.71 64.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.449 179.68 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.572 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -96.24 66.42 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.581 179.464 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' 1573 ' ' VAL . 7.6 p 38.31 83.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.07 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.805 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.25 130.32 56.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.603 179.471 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' 1578 ' ' SER . 46.1 mt-10 -139.16 155.43 47.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.95 131.68 50.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.791 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.726 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.1 p30 45.84 37.45 3.54 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.614 179.681 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.559 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 53.9 p -77.86 -168.7 1.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 179.515 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -112.52 125.72 54.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.36 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.59 HD11 HG11 ' A' 1545 ' ' VAL . 9.3 pt -143.47 147.22 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.023 0.439 . . . . 0.0 111.963 -179.282 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 40.6 m -124.37 116.61 22.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.661 179.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.854 ' HB3' HD21 ' A' 1621 ' ' LEU . 51.9 m-85 -93.18 120.17 33.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.985 0.421 . . . . 0.0 111.607 -179.631 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.5 HG23 ' HA ' ' A' 1620 ' ' PRO . 6.4 tt -99.99 109.43 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.801 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' 1621 ' ' LEU . 25.2 ttpp -104.07 151.24 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.998 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.56 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 67.0 mttm -91.76 151.48 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.672 179.768 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 12.3 p -88.5 -18.13 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 10.2 t -88.32 12.95 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.46 -179.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 64.6 m -78.95 146.54 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 87.4 m -67.62 -73.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.338 -179.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.425 HD22 ' HA ' ' A' 1590 ' ' ASN . 8.6 m120 -121.15 85.45 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 111.462 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.623 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -153.65 101.7 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.702 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -137.47 155.96 48.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 75.1 mt -133.99 166.86 21.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 73.6 t -128.56 140.79 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' 1549 ' ' SER . 87.6 tttt -77.15 140.23 40.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.97 61.12 6.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.594 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.545 ' HA ' ' HD2' ' A' 1632 ' ' ARG . 35.1 ttm180 -163.85 153.23 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.0 110.719 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.565 ' HG2' HD11 ' A' 1564 ' ' LEU . 25.0 mt-30 -88.57 133.36 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.034 0.445 . . . . 0.0 111.483 -179.565 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.504 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 68.1 m-85 -143.25 125.27 15.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.814 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 51.5 tp -75.58 140.19 42.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.263 179.338 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.562 ' HA ' ' O ' ' A' 1626 ' ' TRP . 97.5 mt -139.69 127.58 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.149 0.499 . . . . 0.0 111.971 -179.404 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.581 ' SD ' ' HB2' ' A' 1534 ' ' ALA . 32.6 mtm -136.44 120.34 17.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.774 179.12 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.449 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -160.51 179.49 35.97 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.161 -1.018 . . . . 0.0 113.445 -178.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.682 ' HE2' ' HG3' ' A' 1538 ' ' GLU . 9.2 ttpt -84.2 92.57 7.98 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.701 0.259 . . . . 0.0 111.701 -179.494 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.863 ' H ' ' HB3' ' A' 1540 ' ' ALA . 13.1 pt-20 40.78 -161.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.128 179.06 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.553 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -128.44 -170.01 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.055 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.535 ' HG ' ' HD3' ' A' 1620 ' ' PRO . 85.0 mt -86.07 -165.93 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.188 -179.939 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.53 ' HA ' ' O ' ' A' 1607 ' ' LEU . 27.8 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.699 0.285 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.496 HD12 HG21 ' A' 1583 ' ' ILE . 19.0 pt -59.43 129.44 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.879 0.371 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.553 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 5.9 m-85 -79.22 110.5 15.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.064 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . 0.535 ' HD3' ' HG ' ' A' 1607 ' ' LEU . 80.3 Cg_endo -74.88 151.36 40.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.56 2.173 . . . . 0.0 112.343 -179.829 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.854 HD21 ' HB3' ' A' 1582 ' ' PHE . 3.8 mm? -103.59 99.91 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 179.564 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.505 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 9.1 m-20 -123.01 -163.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.8 p -70.5 -31.48 68.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.563 -179.42 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 2.4 pt? -78.42 9.85 3.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.504 HG22 HG13 ' A' 1627 ' ' ILE . 68.2 m -95.29 117.85 31.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.562 ' O ' ' HA ' ' A' 1601 ' ' ILE . 51.0 t-105 -90.47 101.08 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.697 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.568 HD11 HD12 ' A' 1621 ' ' LEU . 75.2 mt -109.92 128.88 65.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -143.75 115.2 8.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.461 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 7.5 t80 -58.53 127.72 33.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t90 -113.08 100.27 50.92 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.415 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.478 ' HB2' HD11 ' A' 1643 ' ' LEU . 88.5 Cg_exo -47.13 106.39 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.674 2.249 . . . . 0.0 112.456 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.545 ' HD2' ' HA ' ' A' 1597 ' ' ARG . 76.9 mtp180 -55.25 -39.0 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.69 157.83 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.075 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.762 HG22 HD13 ' A' 1643 ' ' LEU . 65.1 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.83 83.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.494 ' O ' ' HG ' ' A' 1646 ' ' LEU . 90.5 t80 -78.1 -26.28 47.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.664 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.762 HD13 HG22 ' A' 1634 ' ' THR . 77.2 mt -82.66 -0.77 48.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.066 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.22 -38.0 22.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.74 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -78.09 -28.17 48.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.578 HD12 HD23 ' A' 1643 ' ' LEU . 70.5 mt -68.06 -34.66 76.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.661 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.79 -42.49 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.678 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.45 -41.31 97.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.689 179.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 67.9 t80 -61.99 -34.99 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.027 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.16 82.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.361 -179.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -87.59 -3.59 58.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -82.56 -73.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.084 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.48 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.6 tp -54.75 -26.82 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.065 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 75.3 t80 -76.01 -51.21 12.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 30.2 tp -92.85 -65.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.296 -179.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.636 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -55.43 -74.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.452 -179.505 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 70.43 139.2 0.15 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.337 -179.64 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.161 -179.901 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.983 0.42 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.594 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 12.4 t -86.33 107.3 17.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.711 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.79 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 87.8 41.03 6.49 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.325 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' 1516 ' ' GLN . 10.5 pt20 -52.11 112.16 0.74 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 82.0 mtp -84.59 151.52 24.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . 0.487 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 4.0 pt20 -91.04 176.07 6.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 15.2 mm-40 -72.48 154.89 40.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -86.08 131.02 34.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' 1523 ' ' LEU . 89.9 mt 57.93 24.0 10.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.099 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.633 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 25.9 t70 -57.89 107.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' 1521 ' ' LEU . 77.3 mt -100.74 99.01 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -179.719 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 10.0 t -176.14 -18.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.966 179.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.2 mt -84.69 137.4 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 69.9 m -90.91 151.88 20.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -56.51 -55.08 38.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.795 179.636 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' 1532 ' ' GLN . 5.5 pt-20 -57.05 -40.22 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.136 179.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . 0.471 ' HA ' HE21 ' A' 1532 ' ' GLN . 89.7 m -57.45 -39.88 77.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 45.6 ttm105 -77.41 -24.42 50.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.614 ' NZ ' ' HB2' ' A' 1658 ' ' CYS . 26.9 tptp -78.43 -24.53 46.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.3 mt-30 -77.79 5.14 10.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.812 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.764 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 57.9 m -122.73 -25.25 4.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -77.11 1.27 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.228 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 51.2 t -118.87 -22.11 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.764 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.1 mtmt -59.11 155.64 32.57 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.6 -13.79 11.6 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.633 2.222 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.502 ' C ' HD12 ' A' 1539 ' ' ILE . 37.9 tt0 -74.04 -33.94 63.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.845 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.9 mp -109.34 110.91 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.362 -179.496 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.713 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -84.82 -40.34 17.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.029 179.673 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.518 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -127.45 162.19 26.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.616 -179.468 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -154.89 102.25 2.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.801 179.187 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.762 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.4 p90 -144.42 173.87 11.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.118 0.485 . . . . 0.0 111.964 -178.793 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.62 ' HG2' HD12 ' A' 1564 ' ' LEU . 38.2 ttmt -108.04 129.34 55.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.307 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.729 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.4 m -125.96 179.69 3.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.301 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 27.6 t -150.68 116.16 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.606 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 34.0 mm -62.53 147.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 179.717 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 4.4 t -152.12 -9.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 111.654 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.811 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 51.7 m -150.37 133.1 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.936 0.398 . . . . 0.0 111.246 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.4 mt -129.57 134.61 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.847 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 91.3 m -134.84 100.7 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.323 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.756 ' HA ' HG13 ' A' 1557 ' ' VAL . 7.6 p -98.96 123.49 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.667 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.85 -72.41 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.073 -179.654 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -163.05 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.071 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.53 HG13 HG13 ' A' 1586 ' ' VAL . 32.4 t -89.89 -45.39 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.224 -179.883 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' 1584 ' ' LYS . 94.0 m-85 -111.92 117.69 33.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.812 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.756 HG13 ' HA ' ' A' 1552 ' ' VAL . 33.1 t -99.3 125.7 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -92.85 117.56 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.777 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 53.0 m-85 -108.38 110.72 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.852 179.52 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.811 ' HB2' ' HB2' ' A' 1549 ' ' SER . 35.0 mmtp -94.69 115.98 28.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.484 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.83 164.45 26.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.376 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 8.9 m -113.35 132.66 55.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.729 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.7 tp -78.59 105.04 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.523 179.653 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.62 HD12 ' HG2' ' A' 1544 ' ' LYS . 81.6 mt -56.16 -45.62 79.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.254 -179.391 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.4 t70 -174.64 158.64 2.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.658 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.762 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 61.6 mt -103.31 133.63 46.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 112.063 -179.626 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.593 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 96.5 m-85 -107.45 -18.6 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.082 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.522 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 23.6 tptm -153.18 104.7 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.634 179.146 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 15.0 t -44.54 150.67 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.028 0.442 . . . . 0.0 111.703 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.681 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -96.88 140.48 15.08 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.406 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.713 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 40.8 mt-10 -52.15 -32.37 35.47 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.994 0.426 . . . . 0.0 110.106 179.669 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.444 ' HB1' ' CE2' ' A' 1617 ' ' TYR . . . -87.75 45.78 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.758 178.779 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' 1573 ' ' VAL . 7.7 p 41.11 82.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.698 -179.403 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.681 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -86.14 144.47 27.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.59 179.466 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' 1563 ' ' LEU . 39.5 tt0 -130.7 145.23 51.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.74 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -60.05 153.2 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.551 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.593 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.5 p30 46.28 31.19 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.382 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 49.6 p -69.29 -166.89 0.1 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.805 179.579 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -126.89 95.9 4.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.584 179.598 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.639 HD13 HG11 ' A' 1545 ' ' VAL . 25.4 pt -89.63 152.65 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.557 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' 1559 ' ' TYR . 8.2 m -135.24 98.2 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.76 179.546 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.777 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 25.6 m-85 -71.48 110.9 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.251 0.548 . . . . 0.0 110.553 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.696 HG13 HD12 ' A' 1618 ' ' ILE . 4.2 mm -89.8 121.72 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.797 -179.605 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.724 ' HG3' ' HB2' ' A' 1588 ' ' CYS . 40.3 ttpt -116.17 152.16 34.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.502 ' NZ ' ' HB2' ' A' 1585 ' ' LYS . 10.0 mtmp? -124.23 177.61 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.53 HG13 HG13 ' A' 1555 ' ' VAL . 27.9 m -62.7 -26.7 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.37 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 81.2 p -75.0 -39.97 60.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.724 ' HB2' ' HG3' ' A' 1584 ' ' LYS . 2.7 m -71.0 89.03 0.78 Allowed 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 7.6 t -105.46 -14.01 15.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.27 -23.42 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.79 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -86.72 103.65 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.135 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -142.51 127.17 18.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.405 HD13 HD11 ' A' 1547 ' ' ILE . 92.3 mt -118.15 163.66 16.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.455 ' CG1' ' HD2' ' A' 1597 ' ' ARG . 3.3 p -130.89 134.55 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.606 ' HA ' ' HB ' ' A' 1547 ' ' ILE . 21.4 pttp -67.69 150.69 48.38 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 95.71 -2.39 64.49 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.455 ' HD2' ' CG1' ' A' 1594 ' ' VAL . 91.8 mtt180 -121.79 174.78 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 111.331 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.607 ' HG3' HH21 ' A' 1632 ' ' ARG . 23.1 mt-30 -120.68 140.76 51.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -136.73 143.07 43.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.411 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 2.1 tm? -91.52 114.26 26.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.024 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.617 HD13 HG22 ' A' 1545 ' ' VAL . 2.4 mp -113.38 122.97 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.057 0.456 . . . . 0.0 111.96 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.673 ' HG3' ' HB3' ' A' 1626 ' ' TRP . 2.7 ptm -145.3 114.16 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.307 178.819 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.845 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -173.67 -169.27 35.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.738 -179.478 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 58.4 tptt -48.19 149.32 1.51 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.765 0.317 . . . . 0.0 111.18 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -61.94 174.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.289 -179.809 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -78.03 177.86 7.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.279 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' 1617 ' ' TYR . 4.0 mm? -95.95 -177.22 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.41 ' HG2' ' CE1' ' A' 1617 ' ' TYR . 78.8 mt-30 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.851 179.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' 1607 ' ' LEU . 5.2 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.329 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.696 HD12 HG13 ' A' 1583 ' ' ILE . 33.4 pt -83.44 149.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.798 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' 1582 ' ' PHE . 68.5 m-85 -106.27 109.14 62.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.003 -179.612 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.93 175.76 9.29 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.499 2.133 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' 1582 ' ' PHE . 93.2 mt -130.9 59.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.782 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.5 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 10.3 m-20 -78.37 -165.8 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.015 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.7 p -78.39 -31.41 48.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.753 -179.328 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 2.1 pt? -75.59 4.51 7.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.744 0.306 . . . . 0.0 111.083 -179.575 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 58.9 m -89.7 109.42 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.017 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.673 ' HB3' ' HG3' ' A' 1602 ' ' MET . 30.9 t-105 -78.33 113.73 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.802 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 64.9 mt -120.69 113.01 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.626 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 35.3 tt0 -114.04 150.32 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.492 ' O ' ' HD3' ' A' 1631 ' ' PRO . 27.3 t80 -90.35 122.01 32.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.153 179.423 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -101.95 102.13 22.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' 1629 ' ' TYR . 42.5 Cg_exo -56.84 108.37 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.594 2.196 . . . . 0.0 112.303 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.607 HH21 ' HG3' ' A' 1598 ' ' GLN . 36.0 ttm180 -70.97 -24.48 62.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -88.6 146.92 24.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.451 HG22 HD12 ' A' 1643 ' ' LEU . 81.9 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.787 0.327 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.73 70.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.317 -179.766 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.458 ' HA ' HD21 ' A' 1645 ' ' ASN . 67.9 t80 -66.44 -45.38 80.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.466 HD21 ' HD2' ' A' 1631 ' ' PRO . 83.5 mt -70.3 -12.6 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.68 -57.99 3.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . 0.458 HD21 ' HA ' ' A' 1642 ' ' PHE . 8.6 p30 -69.55 -16.48 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 58.8 tp -93.89 -18.54 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.629 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.46 -43.99 93.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.04 -49.6 76.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.65 179.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 90.4 t80 -66.29 -25.08 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.701 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -62.85 -27.41 69.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.196 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -116.79 -6.01 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' 1656 ' ' ASN . 21.4 t70 -81.19 -9.51 59.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.78 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.434 HD13 ' HE2' ' A' 1531 ' ' LYS . 5.4 tp -107.53 -31.89 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.769 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 44.2 t80 -78.87 -46.7 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.008 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.86 -61.0 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.875 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.646 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -71.48 -72.06 0.24 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.253 -179.48 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.41 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 75.29 -165.62 54.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.353 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . 0.614 ' HB2' ' NZ ' ' A' 1531 ' ' LYS . 42.6 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 121.028 0.442 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.571 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 29.5 p -70.23 -138.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.189 179.214 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -38.06 -32.37 0.12 Allowed Glycine 0 N--CA 1.457 0.055 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.669 179.157 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 66.77 112.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.882 0.373 . . . . 0.0 111.198 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.441 ' HG3' ' H ' ' A' 1592 ' ' GLU . 21.0 mmt -98.43 153.47 18.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.686 179.817 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . 0.458 ' NE2' ' HG3' ' A' 1628 ' ' GLU . 10.5 pt20 -100.88 -177.22 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -77.04 164.58 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.223 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -88.74 127.48 35.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 65.0 mt 54.87 86.34 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -117.54 100.49 7.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 64.8 mt -89.47 91.21 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.245 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 9.1 t -177.63 -24.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 72.2 mt -82.98 108.6 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 53.6 m -61.05 153.94 24.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.26 -10.49 58.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.5 mt-10 -90.69 -36.36 14.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.3 m -58.16 -54.76 43.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.714 HH12 HD23 ' A' 1646 ' ' LEU . 4.4 ptm180 -70.92 -11.64 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.831 ' HE2' HD13 ' A' 1653 ' ' ILE . 26.8 tptp -83.39 -30.58 27.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.3 mm-40 -59.92 -17.45 37.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.706 HG23 ' HE2' ' A' 1536 ' ' LYS . 67.5 m -85.96 -29.15 23.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.699 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.09 84.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.251 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.0 t -100.16 8.45 43.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.975 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.764 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 33.6 ttpt -68.09 135.41 91.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.668 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . 0.447 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 68.1 Cg_exo -51.48 -53.07 7.71 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.824 2.349 . . . . 0.0 113.126 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.764 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.6 pt-20 -59.19 -16.73 22.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.361 -179.516 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.61 HD12 ' HA2' ' A' 1603 ' ' GLY . 43.4 mm -95.57 142.98 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.031 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -115.0 -65.3 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.473 -179.619 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.514 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 4.7 p90 -99.8 158.54 15.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.761 -179.18 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.75 84.32 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.154 179.267 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.681 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 27.4 p90 -134.71 170.04 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.63 -179.252 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.649 ' HZ3' ' HB2' ' A' 1544 ' ' LYS . 0.0 OUTLIER -114.88 144.66 43.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.232 179.487 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.874 HG12 ' HA ' ' A' 1563 ' ' LEU . 11.3 m -137.89 -177.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.943 0.401 . . . . 0.0 111.392 -179.501 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.43 ' CB ' HD11 ' A' 1564 ' ' LEU . 19.0 t -143.62 128.11 17.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.707 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.509 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 44.0 mm -57.58 133.28 22.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 68.2 p -116.23 -32.64 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.514 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 72.2 m -154.12 148.31 25.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.353 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.6 mt -116.8 111.74 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.81 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . 0.752 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 61.2 m -92.45 133.12 36.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 11.2 p -145.66 142.31 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -126.02 -74.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -146.38 -66.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 37.2 t -104.15 -52.12 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -72.37 147.09 46.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.417 ' HB ' ' HG3' ' A' 1584 ' ' LYS . 43.6 t -129.31 146.51 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.729 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.752 ' HB2' ' HB ' ' A' 1551 ' ' THR . 94.5 mttt -137.92 155.54 48.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.293 -179.589 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.601 ' HE2' ' HD3' ' A' 1584 ' ' LYS . 99.0 m-85 -142.8 105.16 4.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.797 179.843 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -89.45 129.11 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.327 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -141.23 156.59 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.022 0.439 . . . . 0.0 111.863 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.6 m -97.08 140.77 31.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.825 179.48 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.874 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.2 tt -74.46 126.44 30.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.949 179.236 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.615 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.2 mp -84.33 -45.97 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.755 0.312 . . . . 0.0 110.962 -179.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.9 t70 -168.56 145.69 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.681 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 57.0 mt -105.86 119.71 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.746 -179.758 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -91.78 -19.16 22.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.301 0.572 . . . . 0.0 109.622 179.014 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.593 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.4 tttp -149.48 112.25 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.843 179.386 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 95.3 m -45.05 143.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.17 0.51 . . . . 0.0 111.969 -179.146 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.806 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -102.34 137.25 13.26 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.256 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.552 ' HB2' ' HB2' ' A' 1605 ' ' GLU . 12.7 mm-40 -57.6 -20.06 30.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 110.561 179.767 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.447 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -91.22 53.66 2.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.46 179.363 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' 1573 ' ' VAL . 7.2 p 41.53 41.42 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.694 -179.791 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.806 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -62.24 129.58 41.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.936 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.483 ' HB2' ' OG ' ' A' 1578 ' ' SER . 45.4 mt-10 -132.97 143.35 49.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -54.88 122.68 11.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.661 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.696 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.6 t70 67.97 56.13 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.483 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 55.0 m -105.16 -177.85 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.543 179.362 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -109.66 122.57 47.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.39 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.66 HD11 HG11 ' A' 1545 ' ' VAL . 5.5 pt -137.27 137.64 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 112.027 -179.37 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 39.6 m -112.09 132.13 55.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.342 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.442 ' CZ ' HD13 ' A' 1601 ' ' ILE . 29.5 m-85 -113.42 101.38 9.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.416 -179.585 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.752 HG22 ' HG2' ' A' 1558 ' ' LYS . 41.0 pt -88.79 167.21 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.677 ' HB3' HD12 ' A' 1621 ' ' LEU . 14.4 ptmm? -168.17 -177.01 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.952 0.406 . . . . 0.0 111.068 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 94.3 mttt -126.82 158.91 35.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 13.6 p -65.85 -11.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.024 0.44 . . . . 0.0 110.658 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.6 p -60.44 -26.74 66.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.494 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 52.1 t -64.18 134.54 55.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.755 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 12.1 m -126.2 53.42 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -173.44 -10.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.571 ' HB2' ' SG ' ' A' 1514 ' ' CYS . . . -61.87 137.15 58.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.896 0.379 . . . . 0.0 111.388 -179.869 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . 0.441 ' H ' ' HG3' ' A' 1517 ' ' MET . 41.1 tt0 -158.01 106.52 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.798 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 97.2 mt -131.4 157.51 43.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.026 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.447 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 66.4 t -134.94 126.3 46.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.017 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.428 ' C ' ' HD2' ' A' 1595 ' ' LYS . 4.8 tmmm? -65.21 116.67 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.708 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 119.47 -19.02 9.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.52 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 91.9 mtt180 -90.51 177.11 6.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.028 0.442 . . . . 0.0 111.317 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -118.62 144.45 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.761 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -142.04 141.68 32.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.152 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.858 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 62.6 tp -82.69 145.3 29.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.228 179.322 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.442 HD13 ' CZ ' ' A' 1582 ' ' PHE . 82.2 mt -137.79 122.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.066 0.46 . . . . 0.0 111.712 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.435 ' O ' ' HB3' ' A' 1626 ' ' TRP . 56.9 mtp -143.49 112.84 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.05 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.61 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -171.08 -178.29 41.49 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 119.785 -1.198 . . . . 0.0 113.914 -179.321 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.703 ' HD3' ' N ' ' A' 1605 ' ' GLU . 13.7 tmtt? -60.22 157.22 13.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.386 -0.407 . . . . 0.0 111.267 -179.609 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.703 ' N ' ' HD3' ' A' 1604 ' ' LYS . 35.4 tt0 -49.1 156.39 0.54 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.297 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.475 ' N ' ' HG2' ' A' 1605 ' ' GLU . . . -71.9 -169.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.216 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 94.9 mt -88.96 -165.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.235 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.323 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.874 0.368 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.598 HD12 HD13 ' A' 1583 ' ' ILE . 31.3 pt -137.08 143.02 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.805 179.625 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 24.5 m-85 -100.41 124.26 43.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.439 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.52 -8.57 19.56 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.624 2.216 . . . . 0.0 112.453 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' 1584 ' ' LYS . 95.6 mt 60.01 103.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.345 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.556 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.8 m-20 -144.19 174.73 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.729 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.0 p -60.09 -13.71 13.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.576 HD11 ' H ' ' A' 1604 ' ' LYS . 0.1 OUTLIER -69.02 -47.59 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 179.755 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' 1624 ' ' LEU . 78.9 m -74.97 115.25 14.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.624 -179.43 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.435 ' HB3' ' O ' ' A' 1602 ' ' MET . 35.9 t-105 -72.75 119.98 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.65 179.557 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.418 HG21 ' SD ' ' A' 1517 ' ' MET . 56.1 mt -118.13 140.73 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.858 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -135.51 153.4 51.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.755 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.52 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 19.4 t80 -92.08 109.61 20.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.485 ' CE2' HD13 ' A' 1646 ' ' LEU . 12.1 t-105 -90.88 108.14 25.71 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.227 179.515 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.704 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 54.7 Cg_exo -51.49 99.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.408 2.072 . . . . 0.0 112.439 -179.626 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.484 ' O ' ' HD3' ' A' 1632 ' ' ARG . 4.2 tmt_? -64.13 -23.56 67.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.653 179.833 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 4.4 p30 -90.49 135.57 33.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.747 HG22 ' HG ' ' A' 1643 ' ' LEU . 79.9 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.981 179.844 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.689 ' HB3' HD23 ' A' 1643 ' ' LEU . 6.2 tp-100 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.705 0.288 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -93.59 -86.29 0.26 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.782 0.325 . . . . 0.0 110.561 179.848 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.704 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 31.2 t80 -78.73 -7.56 57.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.747 ' HG ' HG22 ' A' 1634 ' ' THR . 2.6 mm? -70.87 -5.09 27.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.115 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -90.43 -37.89 13.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -78.74 -14.95 59.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.714 HD23 HH12 ' A' 1530 ' ' ARG . 81.9 mt -82.1 -22.59 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.717 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -74.5 -40.35 61.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' 1652 ' ' ASP . 39.9 tt0 -66.18 -22.89 66.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.467 ' O ' HG22 ' A' 1653 ' ' ILE . 73.2 t80 -96.12 -24.13 16.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.66 -77.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.461 -179.756 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -21.29 59.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.366 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.539 ' HA ' HD22 ' A' 1656 ' ' ASN . 16.7 t70 -59.56 -76.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.176 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.831 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.4 tp -58.41 -29.88 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.016 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 54.5 t80 -67.27 -37.53 83.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.206 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 34.0 tp -105.49 -71.64 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.539 HD22 ' HA ' ' A' 1652 ' ' ASP . 18.8 m-80 -55.5 -68.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.257 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.692 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 68.69 -172.79 35.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.986 179.939 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.53 0.205 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.521 ' O ' ' HB2' ' A' 1590 ' ' ASN . 40.6 t -51.56 155.76 1.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.432 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 48.66 34.73 15.15 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.603 -178.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.436 HE21 ' HB2' ' A' 1623 ' ' SER . 11.4 pt20 -48.22 -36.3 13.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.201 -0.499 . . . . 0.0 111.346 -179.54 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 82.8 mtp 55.05 -169.15 0.08 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . 0.413 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 12.0 pt20 -131.12 167.54 18.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.77 176.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -96.52 142.05 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' 1523 ' ' LEU . 92.8 mt 57.24 22.59 7.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -56.82 105.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.439 HD23 ' HD1' ' A' 1642 ' ' PHE . 69.1 mt -94.78 5.01 53.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 74.1 p -81.73 3.86 24.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 83.0 mt -122.87 123.01 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.003 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . 0.422 ' HB3' ' OG1' ' A' 1529 ' ' THR . 38.2 t -81.99 175.24 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -66.71 -56.98 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.777 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.3 mt-10 -63.93 -19.14 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' 1526 ' ' SER . 96.3 m -56.71 -42.14 78.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' 1530 ' ' ARG . 27.1 ptt85 -106.78 -16.51 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.777 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 20.4 tptm -66.65 -44.93 80.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.71 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.1 -16.47 44.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.039 0.447 . . . . 0.0 110.202 179.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.783 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 60.6 m -76.42 -33.84 58.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.56 179.514 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -58.95 -21.57 58.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.776 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 86.6 m -83.73 -26.47 29.7 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.04 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.783 ' HE2' ' HA ' ' A' 1533 ' ' THR . 63.1 mttm -55.62 149.72 29.04 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.72 -18.8 32.24 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.493 2.129 . . . . 0.0 112.086 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.23 -22.96 60.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.624 HG13 HG22 ' A' 1533 ' ' THR . 40.9 mm -95.29 102.17 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.72 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.385 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.868 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.8 p90 -140.24 162.35 35.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.27 0.557 . . . . 0.0 112.051 -179.48 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . . . . . . . . . . . -147.79 96.53 2.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.653 179.307 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.678 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.7 p90 -144.15 -178.75 6.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.393 0.616 . . . . 0.0 112.445 -178.623 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.802 ' HZ1' ' HB3' ' A' 1598 ' ' GLN . 53.9 tttp -118.68 133.47 55.83 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.235 179.631 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.817 HG12 ' HA ' ' A' 1563 ' ' LEU . 24.7 m -131.31 -177.25 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.995 0.426 . . . . 0.0 111.526 -179.58 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . . . . . . . . . 16.4 t -146.46 126.9 14.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' 1561 ' ' ALA . 47.0 mm -70.85 141.35 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.728 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 62.6 p -121.1 -44.55 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.483 -179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 69.5 m -142.52 166.39 24.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 111.412 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.441 HG12 ' HD1' ' A' 1559 ' ' TYR . 79.1 mt -131.12 120.14 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.78 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . 0.799 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 86.3 m -95.51 121.97 37.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 96.6 t -112.46 123.18 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -110.21 -75.36 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.693 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . 0.473 ' C ' HD22 ' A' 1554 ' ' ASN . 0.2 OUTLIER -168.75 -72.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.67 -179.826 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 21.8 t -96.85 -35.63 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' 1584 ' ' LYS . 86.4 m-85 -106.93 115.72 30.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' 1583 ' ' ILE . 47.1 t -89.29 144.48 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.878 ' HG2' HG22 ' A' 1583 ' ' ILE . 88.4 mttt -127.97 157.07 41.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 111.305 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.447 ' HE2' ' HZ2' ' A' 1584 ' ' LYS . 97.9 m-85 -140.3 123.34 16.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -94.4 110.09 21.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.565 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -126.93 171.27 11.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.313 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.3 m -128.65 139.63 52.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.817 ' HA ' HG12 ' A' 1545 ' ' VAL . 0.1 OUTLIER -68.78 138.34 54.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.195 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.531 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.6 mp -104.24 -42.24 5.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.066 0.46 . . . . 0.0 110.525 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.0 t70 -168.22 142.24 3.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.863 179.243 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.678 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 39.5 mt -116.48 135.32 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -178.751 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -106.01 -21.32 13.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.428 -0.805 . . . . 0.0 108.976 178.318 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 63.6 tttm -142.65 106.9 4.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.26 179.054 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . 0.79 HG22 ' H ' ' A' 1571 ' ' GLU . 7.9 m -42.74 150.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.513 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.868 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -94.41 -11.37 57.24 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.759 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.79 ' H ' HG22 ' A' 1569 ' ' THR . 44.1 mt-10 73.16 -34.28 0.29 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 122.349 0.26 . . . . 0.0 111.306 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -94.96 65.08 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.674 179.72 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 97.3 t 51.28 87.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.42 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' 1566 ' ' ILE . . . -137.61 165.07 27.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.834 179.508 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.855 ' HG2' ' HB3' ' A' 1578 ' ' SER . 9.4 pt-20 -171.33 178.25 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.501 179.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' 1577 ' ' ASP . 19.1 ptpt -81.41 36.1 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.505 -179.505 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' A' 1563 ' ' LEU . 5.6 p-10 165.46 37.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.408 -179.425 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.855 ' HB3' ' HG2' ' A' 1575 ' ' GLU . 51.7 p -89.57 -168.03 2.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.087 0.47 . . . . 0.0 111.285 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -113.61 132.56 55.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.236 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.749 HD12 ' HE1' ' A' 1582 ' ' PHE . 32.3 pt -133.84 145.48 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.81 -179.409 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 27.1 m -134.12 122.64 23.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.678 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.749 ' HE1' HD12 ' A' 1580 ' ' ILE . 77.0 m-85 -108.05 135.26 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 111.318 -179.772 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.878 HG22 ' HG2' ' A' 1558 ' ' LYS . 48.9 pt -129.68 151.09 35.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.098 179.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.788 ' HD3' HD23 ' A' 1621 ' ' LEU . 23.8 pttm -152.66 -179.92 8.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -100.23 -170.3 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 29.6 m -82.15 -18.27 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 73.7 p -90.74 9.63 29.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.549 ' HB3' ' HD2' ' A' 1584 ' ' LYS . 17.8 t -122.39 16.67 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.712 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . 0.428 ' HA ' ' HE3' ' A' 1584 ' ' LYS . 67.9 p -67.75 -4.85 13.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.382 -179.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' 1514 ' ' CYS . 17.0 m120 -58.4 -22.72 54.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -80.4 110.22 15.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -93.68 110.46 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.44 154.96 28.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.76 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 60.2 t -127.91 129.77 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.34 128.43 35.85 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 98.25 8.75 54.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.744 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.76 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 83.3 mtt180 -112.18 175.18 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.368 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.802 ' HB3' ' HZ1' ' A' 1544 ' ' LYS . 21.7 mt-30 -115.56 140.76 48.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.629 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -141.61 154.98 45.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 111.529 -179.682 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.62 HD13 ' N ' ' A' 1601 ' ' ILE . 2.3 tm? -98.02 135.64 39.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.002 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.62 ' N ' HD13 ' A' 1600 ' ' LEU . 61.6 mt -129.6 133.04 65.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.187 0.517 . . . . 0.0 112.021 -179.385 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . . . . . . . . . 75.1 mtp -148.56 117.85 6.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.258 179.47 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.491 ' HA2' HD13 ' A' 1539 ' ' ILE . . . 167.31 -165.64 38.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 119.907 -1.14 . . . . 0.0 113.65 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -49.84 159.1 0.42 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.984 0.421 . . . . 0.0 111.695 -179.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.486 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 12.4 pt-20 -90.34 -169.26 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.411 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -108.18 141.38 40.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.325 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' 1607 ' ' LEU . 0.7 OUTLIER -130.85 104.1 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.336 179.571 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.603 ' HB2' ' HA ' ' A' 1617 ' ' TYR . 10.1 mm100 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 0.0 110.983 -178.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.603 ' HA ' ' HB2' ' A' 1608 ' ' GLN . 5.6 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.306 0.574 . . . . 0.0 112.334 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.684 HD12 HD13 ' A' 1583 ' ' ILE . 6.8 pt -148.04 98.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.112 179.302 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' 1582 ' ' PHE . 66.4 m-85 -55.24 130.0 68.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.642 -178.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -76.54 143.6 24.52 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.646 2.23 . . . . 0.0 112.117 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.788 HD23 ' HD3' ' A' 1584 ' ' LYS . 36.9 tp -106.65 97.62 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.453 ' HA ' ' SG ' ' A' 1514 ' ' CYS . 9.6 m-20 -120.85 -172.21 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 -179.863 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.436 ' HB2' HE21 ' A' 1516 ' ' GLN . 79.1 p -80.71 -17.03 52.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.08 -179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -32.43 58.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.599 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.479 ' O ' HG13 ' A' 1627 ' ' ILE . 69.1 m -62.17 99.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.087 -179.835 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -59.9 111.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.495 ' HA ' ' O ' ' A' 1600 ' ' LEU . 71.8 mt -125.59 125.72 69.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.413 ' HG3' ' OE1' ' A' 1518 ' ' GLN . 42.4 tt0 -123.94 148.4 46.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.453 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 30.3 t80 -83.6 119.34 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -96.98 115.41 65.72 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.276 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.751 ' HB2' HD11 ' A' 1643 ' ' LEU . 76.4 Cg_exo -49.48 100.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.517 2.145 . . . . 0.0 112.343 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -63.23 -21.72 66.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -130.54 161.04 32.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 111.457 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.436 ' HB ' ' NE2' ' A' 1640 ' ' GLN . 66.6 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.745 179.712 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.494 ' HA ' HD23 ' A' 1643 ' ' LEU . 19.3 mm-40 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.832 0.348 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -73.81 -8.04 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.22 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' 1646 ' ' LEU . 43.7 t80 -106.28 -27.68 10.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.9 mm? -78.96 -52.6 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.998 -179.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -63.68 -15.2 57.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 31.8 t30 -95.1 -38.2 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' 1642 ' ' PHE . 11.3 tp -72.83 -25.47 61.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.635 179.874 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.52 -25.91 66.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.395 179.559 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -62.27 -46.36 89.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.584 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 41.1 t80 -55.07 -30.62 60.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.809 179.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -70.56 -48.18 56.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.333 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -71.21 -13.58 61.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.401 -179.364 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.0 -68.33 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 111.047 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.56 ' HB ' ' HE3' ' A' 1531 ' ' LYS . 8.2 tp -58.62 -22.09 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.2 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -82.02 -56.7 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.317 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 42.8 tp -80.31 -61.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 -179.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.618 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -64.31 -73.1 0.13 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.031 -179.856 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 94.03 173.57 39.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.901 -179.96 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' 1515 ' ' GLY . 8.0 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.777 0.322 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 15.6 p -78.18 25.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.352 0.596 . . . . 0.0 110.351 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.75 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 107.82 79.41 1.18 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.68 -179.242 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -47.0 121.42 3.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.261 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' 1591 ' ' ALA . 0.5 OUTLIER -70.64 140.15 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.019 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.44 167.48 5.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 12.9 mm-40 -63.68 163.77 10.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.998 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . 0.432 ' HG2' ' HG ' ' A' 1521 ' ' LEU . 41.3 tt0 -95.22 135.41 36.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' 1523 ' ' LEU . 94.4 mt 58.38 21.8 8.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 23.8 t70 -60.63 101.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.772 179.726 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' 1521 ' ' LEU . 72.9 mt -99.38 95.46 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 7.5 t -175.38 -20.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.06 127.51 39.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.4 t -77.13 160.41 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.9 -14.21 62.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.5 mt-10 -90.61 -32.6 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.1 m -62.7 -37.33 86.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -88.03 -10.69 49.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.698 ' HE3' HD13 ' A' 1653 ' ' ILE . 21.7 tptm -86.81 -34.58 19.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.881 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.3 mt-30 -62.48 -13.39 29.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.401 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 42.5 m -88.84 -26.66 21.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.855 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -66.74 -58.9 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.279 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 37.3 t -69.99 -7.71 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.74 ' HZ2' ' HB3' ' A' 1538 ' ' GLU . 27.0 ttpp -62.94 137.93 97.09 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.706 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . 0.678 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 12.3 Cg_endo -55.68 -31.05 78.2 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.815 2.344 . . . . 0.0 112.946 -179.497 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.74 ' HB3' ' HZ2' ' A' 1536 ' ' LYS . 10.3 tp10 -64.7 -25.13 67.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.736 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.839 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -105.14 129.38 57.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.53 -41.56 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.435 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.49 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 1.3 p90 -123.83 159.12 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.21 0.529 . . . . 0.0 112.045 -179.258 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -153.24 110.08 3.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.789 179.326 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.692 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 1.3 p90 -156.71 -178.65 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.198 0.523 . . . . 0.0 112.126 -178.75 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.553 ' HG2' HD12 ' A' 1564 ' ' LEU . 63.3 tttm -114.81 135.15 54.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.171 179.823 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.4 m -129.77 174.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 0.0 111.988 -179.314 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.465 ' HB3' HD11 ' A' 1564 ' ' LEU . 75.1 p -143.68 117.54 9.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.609 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' 1561 ' ' ALA . 43.4 mm -55.25 139.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 72.5 p -128.23 -21.66 3.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.478 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.773 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 40.9 t -153.28 158.68 41.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.171 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.2 mt -144.1 116.69 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 89.4 m -110.62 109.45 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.039 179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.719 ' HA ' HG23 ' A' 1557 ' ' VAL . 3.8 p -106.21 123.48 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . 0.556 ' HG3' ' H ' ' A' 1554 ' ' ASN . 8.0 tp10 -110.22 174.61 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.426 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . 0.556 ' H ' ' HG3' ' A' 1553 ' ' GLU . 34.8 m-80 -54.31 -23.34 14.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.521 -179.686 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 92.5 t -138.64 -74.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.726 0.298 . . . . 0.0 111.633 -179.773 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -77.18 120.04 21.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.238 -179.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.719 HG23 ' HA ' ' A' 1552 ' ' VAL . 4.4 p -107.6 115.18 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.816 ' HG3' HG22 ' A' 1583 ' ' ILE . 11.4 mptt -89.78 155.67 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -135.76 130.48 34.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.011 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.773 ' HB3' ' HB3' ' A' 1549 ' ' SER . 16.3 tppt? -108.17 132.01 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.527 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.477 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -138.76 173.46 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 111.635 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.3 m -124.13 127.62 48.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.87 HD21 HG12 ' A' 1566 ' ' ILE . 5.4 tp -69.99 90.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.6 ' H ' ' HA ' ' A' 1545 ' ' VAL . 87.6 mt -48.8 -45.34 40.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.339 -179.114 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.4 t70 -169.32 153.61 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.669 179.774 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.87 HG12 HD21 ' A' 1563 ' ' LEU . 38.2 mt -100.91 130.13 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.253 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.692 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 86.2 m-85 -109.59 -24.29 11.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.306 0.574 . . . . 0.0 109.496 178.504 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.573 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 58.5 tptt -146.69 106.69 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.582 179.28 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' 1574 ' ' ALA . 63.9 m -45.71 134.76 7.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.284 0.564 . . . . 0.0 112.1 -178.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.853 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -91.41 131.78 10.95 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.213 179.636 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -59.28 -20.57 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.343 . . . . 0.0 110.799 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.724 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -89.27 44.32 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.638 179.492 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 69.4 t 59.0 95.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.344 -179.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.853 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -92.21 144.51 25.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.478 ' HB3' ' HB2' ' A' 1578 ' ' SER . 10.2 tp10 -147.1 138.03 23.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.849 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -55.86 133.77 51.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.133 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.696 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.3 p30 45.6 39.2 4.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.227 0.537 . . . . 0.0 110.912 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.478 ' HB2' ' HB3' ' A' 1575 ' ' GLU . 32.7 t -64.52 -169.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.67 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -123.02 105.22 9.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.617 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.607 HD12 ' HE1' ' A' 1582 ' ' PHE . 36.8 pt -99.33 150.51 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.532 -179.619 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 10.2 m -134.96 105.16 6.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.633 ' HA ' ' O ' ' A' 1619 ' ' TYR . 52.6 m-85 -100.57 117.33 34.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.982 0.42 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.816 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.0 pt -98.88 149.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.047 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.567 ' HB2' HD12 ' A' 1621 ' ' LEU . 36.5 ttpt -133.18 158.98 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.458 ' N ' ' HG2' ' A' 1584 ' ' LYS . 97.4 mttt -108.54 -169.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 27.3 m -95.77 3.7 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 77.8 p -94.31 -5.98 45.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' 1514 ' ' CYS . 42.1 t -84.2 -72.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.595 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 71.8 p 49.0 24.32 0.86 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.072 179.359 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 14.3 m120 -134.25 -5.61 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 111.1 179.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.49 ' HA ' ' SD ' ' A' 1517 ' ' MET . . . -89.06 127.64 35.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -119.47 104.44 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.6 mt -121.22 96.13 4.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.643 179.718 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 43.8 t -74.68 147.7 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.262 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 62.9 tttp -65.3 136.14 56.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.69 33.48 87.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.553 ' HE ' ' HA ' ' A' 1597 ' ' ARG . 2.5 tpm_? -109.8 149.79 29.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.752 0.311 . . . . 0.0 110.749 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.52 ' HB3' ' HZ1' ' A' 1544 ' ' LYS . 21.1 mt-30 -91.09 129.42 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -135.94 150.01 49.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.001 0.429 . . . . 0.0 111.639 -179.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' 1601 ' ' ILE . 5.6 tt -98.82 131.4 44.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.832 179.212 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.582 ' N ' HD23 ' A' 1600 ' ' LEU . 90.3 mt -124.88 128.55 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.127 0.489 . . . . 0.0 112.009 -179.263 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.455 ' O ' ' HB3' ' A' 1626 ' ' TRP . 74.3 mtp -148.23 113.5 5.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.32 179.528 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.839 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.69 179.92 48.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.149 -1.024 . . . . 0.0 113.297 -179.746 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.8 tppp? -55.23 158.43 3.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.757 0.313 . . . . 0.0 111.084 -179.802 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.724 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.4 pt-20 -60.91 175.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -72.01 -173.43 1.03 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.6 mt -131.81 114.39 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.479 ' HB3' ' CE1' ' A' 1617 ' ' TYR . 4.5 pp0? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' 1608 ' ' GLN . 1.9 m-30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.774 0.321 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 2.6 pp -120.05 151.72 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 179.531 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' 1582 ' ' PHE . 25.9 m-85 -99.5 118.73 61.69 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.185 -179.534 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -84.67 -178.03 3.13 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.738 2.292 . . . . 0.0 112.436 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' 1584 ' ' LYS . 62.8 mt -135.78 95.13 3.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.77 179.56 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -116.76 179.53 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.797 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.75 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 47.3 t -74.5 -0.32 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' 1625 ' ' THR . 0.4 OUTLIER -92.59 -34.09 14.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.521 179.79 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.508 ' N ' ' HG ' ' A' 1624 ' ' LEU . 19.1 m -56.15 124.9 19.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.198 -179.647 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.455 ' HB3' ' O ' ' A' 1602 ' ' MET . 45.1 t-105 -91.06 107.58 19.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' 1600 ' ' LEU . 5.3 mp -115.07 127.12 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.691 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.495 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 42.3 tt0 -132.09 114.53 14.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.448 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 15.5 t80 -57.92 120.86 9.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.4 ' HA ' ' HD2' ' A' 1631 ' ' PRO . 4.4 t-105 -98.89 102.39 15.04 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.225 179.694 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.427 ' HG2' HD11 ' A' 1643 ' ' LEU . 9.9 Cg_endo -51.95 98.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.714 2.276 . . . . 0.0 112.378 -179.634 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -61.43 -26.4 67.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.29 132.74 34.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 75.3 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.98 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.839 ' HA ' HD23 ' A' 1643 ' ' LEU . 9.5 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.348 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -59.92 -20.68 58.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.312 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 58.1 t80 -80.05 -30.78 39.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.768 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.839 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -74.31 -14.91 60.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.48 -43.99 79.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -73.59 -21.43 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.723 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.598 HD12 HD13 ' A' 1643 ' ' LEU . 97.3 mt -79.85 -27.73 40.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.11 -28.29 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.723 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.42 2.16 42.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.433 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 89.2 t80 -113.5 -20.11 11.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -76.73 -64.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.49 -33.31 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.776 ' HA ' HD21 ' A' 1656 ' ' ASN . 20.7 t70 -51.8 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.284 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.698 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.2 tp -57.22 -29.49 32.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.312 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . 0.546 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 16.5 t80 -71.66 -29.79 65.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.332 -179.697 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.546 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 89.6 mt -103.94 -75.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.501 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.776 HD21 ' HA ' ' A' 1652 ' ' ASP . 2.0 p30 -76.68 -56.8 4.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.656 -179.351 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.698 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 65.54 -139.4 39.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.406 -179.816 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.259 -0.876 . . . . 0.0 110.851 179.95 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.998 0.428 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' A' 1515 ' ' GLY . 94.6 m -70.25 -140.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.312 179.137 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' 1514 ' ' CYS . . . -40.12 -29.37 0.2 Allowed Glycine 0 N--CA 1.455 -0.076 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.828 179.315 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 68.35 114.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.882 0.373 . . . . 0.0 110.942 179.487 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.497 ' HG2' ' HA ' ' A' 1591 ' ' ALA . 92.5 mmm -83.5 130.41 35.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -75.34 159.92 30.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.24 147.58 47.51 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.08 143.52 39.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' 1523 ' ' LEU . 89.9 mt 58.76 18.76 6.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.192 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.404 ' OD1' HG13 ' A' 1525 ' ' ILE . 14.6 t70 -63.05 100.48 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.747 179.802 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' 1521 ' ' LEU . 64.7 mt -95.53 11.78 31.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.055 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 80.8 p -78.89 -36.47 42.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.404 HG13 ' OD1' ' A' 1522 ' ' ASP . 75.9 mt -74.86 136.36 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.8 m -78.8 177.14 8.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . 0.401 ' HB2' ' OD1' ' A' 1645 ' ' ASN . . . -88.41 -11.83 44.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.571 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 43.8 mt-10 -103.56 -23.0 13.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 63.5 m -59.64 -41.83 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.034 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.509 ' NH1' ' HG2' ' A' 1628 ' ' GLU . 13.0 ptp180 -92.59 -14.16 28.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.795 179.851 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.591 ' HE2' HD13 ' A' 1653 ' ' ILE . 26.7 tptp -75.52 -39.31 58.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.053 -179.902 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.8 mt-30 -62.05 -12.6 19.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.969 0.414 . . . . 0.0 110.384 179.57 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.69 HG23 ' HE2' ' A' 1536 ' ' LYS . 61.7 m -92.57 -29.48 16.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.906 179.743 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.17 70.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.288 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.3 t -96.76 -3.22 42.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.707 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 39.3 ttpt -58.42 135.23 85.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.47 -42.47 34.89 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.83 2.353 . . . . 0.0 112.784 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.707 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 0.4 OUTLIER -58.33 -55.57 33.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.202 0.525 . . . . 0.0 110.491 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.681 HG13 HG22 ' A' 1533 ' ' THR . 17.3 mm -61.14 107.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.436 -179.693 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -71.85 -63.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.732 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.568 ' HE1' HG22 ' A' 1601 ' ' ILE . 5.1 p90 -109.29 159.08 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.652 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.49 ' HB3' ' CB ' ' A' 1568 ' ' LYS . . . -147.66 96.72 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.039 179.512 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.763 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.6 OUTLIER -150.88 173.21 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.97 0.414 . . . . 0.0 111.681 -179.107 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.55 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 21.3 pttp -110.62 147.42 34.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.069 179.171 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.833 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.3 m -138.52 -175.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.609 -178.772 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.466 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.9 t -146.37 120.68 9.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.717 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.407 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.4 mm -61.17 139.76 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 62.3 p -121.07 -38.83 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.39 -179.774 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 75.7 m -142.73 150.76 40.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.63 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.9 mt -133.62 136.58 54.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.044 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 69.2 m -140.52 113.79 8.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.609 ' HA ' HG13 ' A' 1557 ' ' VAL . 89.5 t -101.84 129.95 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' 1556 ' ' PHE . 45.5 mt-10 -110.09 -164.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . 0.58 HD22 ' N ' ' A' 1554 ' ' ASN . 0.8 OUTLIER -56.89 -60.45 3.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.903 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.677 HG13 HG22 ' A' 1586 ' ' VAL . 33.9 t -129.07 -36.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.843 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' 1553 ' ' GLU . 94.8 m-85 -90.38 103.73 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.042 -179.774 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' 1552 ' ' VAL . 26.2 t -91.65 150.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.646 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.3 mttt -131.45 152.45 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.45 ' CE2' ' HE3' ' A' 1584 ' ' LYS . 98.5 m-85 -138.94 120.26 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 24.3 tptm -98.26 121.12 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.401 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.407 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -139.62 166.5 24.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.984 0.421 . . . . 0.0 111.623 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.6 m -115.29 128.39 56.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.999 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.833 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.2 tp -66.29 112.22 3.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.257 179.445 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.58 ' H ' ' HA ' ' A' 1545 ' ' VAL . 85.5 mt -66.16 -61.19 2.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.281 -179.358 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.564 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.2 t70 -153.94 149.23 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.812 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.763 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 56.4 mt -97.9 135.27 33.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.038 0.447 . . . . 0.0 112.052 -179.442 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' 1542 ' ' ALA . 52.9 m-85 -112.97 -15.56 12.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.321 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 7.3 tmtm? -157.51 106.18 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.285 179.13 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 47.2 m -40.02 143.49 0.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.382 -178.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.823 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.53 133.75 11.46 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.32 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.67 -24.13 65.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.774 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -94.59 67.39 3.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.434 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' 1573 ' ' VAL . 7.2 p 36.9 79.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.829 -179.667 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.823 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -107.0 129.73 54.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.844 179.559 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.489 ' O ' HD23 ' A' 1563 ' ' LEU . 45.9 mt-10 -140.09 145.2 37.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.52 127.93 34.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.65 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.617 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.0 t70 64.77 38.0 7.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 40.6 t -91.39 -171.53 2.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.54 179.554 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -108.38 133.67 52.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.583 179.681 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.76 HD12 ' HE1' ' A' 1582 ' ' PHE . 28.8 pt -140.33 149.97 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 111.646 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 34.8 m -142.54 114.54 8.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.753 179.749 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.76 ' HE1' HD12 ' A' 1580 ' ' ILE . 88.9 m-85 -100.31 133.08 45.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.747 HD13 HD12 ' A' 1618 ' ' ILE . 50.1 pt -123.35 146.74 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.537 ' HD3' HD23 ' A' 1621 ' ' LEU . 21.8 pttp -149.26 -168.16 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.002 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -111.02 178.6 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.937 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.677 HG22 HG13 ' A' 1555 ' ' VAL . 24.2 m -90.78 -0.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 67.3 p -72.7 -22.16 60.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.989 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.563 ' HB3' ' HB3' ' A' 1591 ' ' ALA . 75.8 m -58.13 122.11 12.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.74 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 94.3 m -104.16 -39.82 6.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.593 -179.61 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 12.7 m120 -96.13 14.5 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.42 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' 1588 ' ' CYS . . . -100.22 136.23 40.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 179.809 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -161.25 130.05 4.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 91.1 mt -135.87 135.83 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.437 HG12 ' OH ' ' A' 1599 ' ' TYR . 7.1 p -117.39 138.86 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.499 ' HB2' ' NZ ' ' A' 1595 ' ' LYS . 0.0 OUTLIER -72.97 129.74 38.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 -179.881 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 117.39 -51.05 0.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.804 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 168.47 14.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.058 0.456 . . . . 0.0 111.304 -179.733 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.423 ' HG2' HD11 ' A' 1564 ' ' LEU . 99.4 mt-30 -106.01 152.67 23.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.779 179.908 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.437 ' OH ' HG12 ' A' 1594 ' ' VAL . 97.0 m-85 -147.88 145.68 28.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.319 -179.832 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' 1627 ' ' ILE . 57.8 tp -93.95 132.64 38.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.138 179.398 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.568 HG22 ' HE1' ' A' 1541 ' ' TYR . 78.0 mt -127.69 123.28 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.0 0.429 . . . . 0.0 111.926 -179.294 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.417 ' SD ' ' HB1' ' A' 1542 ' ' ALA . 28.1 mtm -140.67 117.62 11.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.053 179.2 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.638 ' N ' HG23 ' A' 1539 ' ' ILE . . . 177.32 -166.39 36.88 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.427 -179.676 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' 1538 ' ' GLU . 73.8 mmtt -51.9 162.14 0.48 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.96 0.41 . . . . 0.0 111.408 -179.799 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.6 pt-20 -81.96 -178.69 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.727 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.498 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -89.88 -179.79 5.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.044 179.73 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' 1607 ' ' LEU . 1.4 pt? -127.97 117.4 21.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.828 -179.943 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.638 0.256 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.747 HD12 HD13 ' A' 1583 ' ' ILE . 16.4 pt 37.92 97.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.114 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.498 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 30.9 m-85 -55.97 140.58 69.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.011 -179.679 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.87 175.57 11.14 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.611 2.207 . . . . 0.0 112.197 179.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.537 HD23 ' HD3' ' A' 1584 ' ' LYS . 41.6 tp -154.75 92.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.859 ' HB2' HD12 ' A' 1624 ' ' LEU . 9.6 m-20 -116.8 -160.32 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.777 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 77.6 p -83.68 14.33 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.509 -179.572 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -111.5 -13.47 13.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.726 0.298 . . . . 0.0 110.918 179.798 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.616 ' N ' HD13 ' A' 1624 ' ' LEU . 57.4 m -76.53 118.91 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' A' 1601 ' ' ILE . 69.4 t-105 -81.85 110.89 17.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.509 ' HA ' ' O ' ' A' 1600 ' ' LEU . 68.5 mt -123.27 119.45 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.509 ' HG2' ' NH1' ' A' 1530 ' ' ARG . 10.2 tp10 -123.71 139.52 53.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.98 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.465 ' O ' ' HD3' ' A' 1631 ' ' PRO . 10.6 t80 -65.3 123.38 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -106.67 95.52 12.3 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.24 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 78.3 Cg_exo -50.35 97.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.623 2.216 . . . . 0.0 112.427 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -62.17 -28.92 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -87.63 153.6 21.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 179.991 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.817 ' HA ' HD23 ' A' 1643 ' ' LEU . 4.1 pt20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.788 0.328 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -66.09 -21.98 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.511 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 30.8 t80 -91.4 -37.06 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.789 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.817 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.9 mm? -64.55 -25.88 68.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -64.18 -31.28 72.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . 0.401 ' OD1' ' HB2' ' A' 1527 ' ' ALA . 47.9 t-20 -79.16 -38.78 35.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 88.7 mt -70.43 -22.1 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.57 -47.28 84.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.771 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.4 -33.68 76.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.657 179.767 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.463 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 87.5 t80 -65.38 -36.71 84.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -71.86 -28.44 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.188 -179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -95.37 -4.97 44.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 -179.483 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.705 ' HA ' HD22 ' A' 1656 ' ' ASN . 18.8 t70 -96.86 -14.71 21.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.591 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.4 tp -102.3 -30.91 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.734 179.668 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.9 t80 -82.52 -44.45 15.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.857 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.2 tt -90.22 -70.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 -179.74 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.705 HD22 ' HA ' ' A' 1652 ' ' ASP . 17.0 m-80 -61.26 -40.97 96.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.258 -179.815 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 61.55 -140.01 47.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.387 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.88 179.836 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.488 ' HB3' ' HB2' ' A' 1516 ' ' GLN . 8.6 m-20 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.54 0.21 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' 1588 ' ' CYS . 42.5 t 52.59 30.6 8.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.494 0.664 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.451 ' HA2' ' C ' ' A' 1622 ' ' ASP . . . 122.85 44.3 0.34 Allowed Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.631 -179.141 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.488 ' HB2' ' HB3' ' A' 1513 ' ' ASP . 28.2 tt0 -47.4 132.44 13.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.413 -0.393 . . . . 0.0 111.295 -179.605 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.404 ' HB3' ' HE2' ' A' 1517 ' ' MET . 83.0 mtp -98.06 179.39 4.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.737 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -90.49 158.03 17.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.78 171.83 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.184 -179.8 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -81.26 -152.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.801 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' 1642 ' ' PHE . 86.1 mt -54.89 103.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -147.99 127.94 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' 1641 ' ' ALA . 88.0 mt -85.64 6.78 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 82.4 p -65.06 -30.03 70.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.75 133.36 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . 0.442 ' HB2' ' OG1' ' A' 1529 ' ' THR . 54.6 m -88.21 -175.55 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -79.43 -62.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.673 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.4 mt-10 -58.26 -27.38 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 -179.895 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' 1526 ' ' SER . 89.0 m -58.93 -42.72 90.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -106.78 10.19 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.673 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 25.2 tptp -97.53 -36.04 10.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.763 179.871 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' 1528 ' ' GLU . 96.5 mt-30 -63.31 -10.6 16.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 179.531 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.806 ' HA ' ' HD3' ' A' 1536 ' ' LYS . 58.5 m -82.28 -28.19 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.798 179.61 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.32 -13.99 44.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.049 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 30.5 t -118.73 0.92 11.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.698 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.806 ' HD3' ' HA ' ' A' 1533 ' ' THR . 11.3 mtpp -59.41 156.23 32.05 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.077 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.34 -45.33 18.98 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.724 2.282 . . . . 0.0 112.72 -179.731 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.644 ' HG3' HD12 ' A' 1539 ' ' ILE . 6.2 pt-20 -73.8 3.58 6.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.289 -179.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.751 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -116.23 114.09 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.876 0.37 . . . . 0.0 110.751 179.299 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -95.46 -42.14 8.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.245 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.569 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.0 OUTLIER -125.13 164.21 20.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.284 0.564 . . . . 0.0 111.945 -179.424 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -155.06 97.83 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.755 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.604 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 5.5 p90 -139.85 176.54 8.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 0.0 111.83 -178.859 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.563 ' HZ1' ' HB3' ' A' 1598 ' ' GLN . 61.6 tttm -119.64 134.05 55.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.433 179.739 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.828 HG12 ' HA ' ' A' 1563 ' ' LEU . 6.1 m -133.36 177.88 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 111.521 -179.516 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.475 ' HB2' HD11 ' A' 1564 ' ' LEU . 9.5 t -140.16 129.79 24.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.633 179.629 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' 1595 ' ' LYS . 36.6 mm -65.11 140.19 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.778 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 53.2 p -131.62 -22.72 2.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.538 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.637 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 70.0 m -155.79 145.95 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.01 0.433 . . . . 0.0 111.235 -179.518 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.5 mt -130.65 121.27 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.6 m -120.31 139.01 53.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 6.9 p -113.52 136.69 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -112.59 -165.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.704 179.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.7 m120 -57.01 -42.04 79.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' 1556 ' ' PHE . 5.2 m -144.27 -50.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.448 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.567 ' HE1' ' HE2' ' A' 1585 ' ' LYS . 83.9 m-85 -78.82 105.28 10.03 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 111.187 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' 1584 ' ' LYS . 7.7 p -81.64 136.28 23.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.689 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.62 ' HE2' HD12 ' A' 1583 ' ' ILE . 35.1 mmtp -108.77 154.1 22.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.092 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.855 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 91.9 m-85 -136.05 102.02 4.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.717 179.712 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' A' 1549 ' ' SER . 4.5 tppp? -77.47 123.64 26.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -143.39 162.06 36.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.42 . . . . 0.0 111.562 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.5 m -107.16 138.71 42.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.12 179.744 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.828 ' HA ' HG12 ' A' 1545 ' ' VAL . 19.7 tp -79.82 109.9 14.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.603 179.644 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.565 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.6 mp -63.62 -47.97 79.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.158 -179.675 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' 1543 ' ' TYR . 19.3 t70 -169.45 161.06 9.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.604 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 55.7 mt -107.81 124.59 64.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.831 -179.801 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.495 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 96.6 m-85 -99.06 -15.96 18.84 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.515 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.61 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 24.0 tptm -154.63 110.66 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.818 179.324 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 89.0 m -43.67 146.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.889 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.789 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -105.03 135.25 12.45 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.447 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.556 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 14.2 mm-40 -59.53 -27.15 65.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.745 179.825 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -95.03 67.97 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.557 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' 1573 ' ' VAL . 5.7 p 36.88 85.0 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.076 -179.79 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.789 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.46 133.3 51.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.647 179.393 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' 1578 ' ' SER . 10.1 tp10 -145.18 135.2 23.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.644 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 96.3 mttt -50.4 136.29 20.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.591 ' HA ' ' O ' ' A' 1563 ' ' LEU . 16.1 t70 64.91 40.22 5.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.957 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.551 ' H ' ' HB3' ' A' 1563 ' ' LEU . 30.1 t -87.2 -167.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.466 179.524 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -122.52 113.07 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 179.751 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.629 HD13 HG11 ' A' 1545 ' ' VAL . 28.7 pt -110.49 145.84 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.667 -179.552 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 17.8 m -129.97 98.1 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.45 179.374 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.882 ' HB3' HD21 ' A' 1621 ' ' LEU . 25.0 m-85 -65.19 153.69 40.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 -179.67 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.68 HG21 HD12 ' A' 1618 ' ' ILE . 6.1 tt -144.08 106.84 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.812 179.766 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.575 ' HG2' ' N ' ' A' 1585 ' ' LYS . 33.7 ttpt -125.53 161.76 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.828 -179.478 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.575 ' N ' ' HG2' ' A' 1584 ' ' LYS . 0.4 OUTLIER -91.19 136.98 32.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 179.478 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 31.4 m -77.8 9.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 -179.791 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 8.4 t -117.01 9.16 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.29 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' 1514 ' ' CYS . 62.6 m -66.29 -38.76 88.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.995 0.426 . . . . 0.0 111.181 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 6.8 m 56.81 51.97 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.328 179.802 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.458 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 25.3 t-20 -164.83 -71.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.094 179.6 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -61.42 136.55 58.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.007 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -157.74 103.82 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' 1593 ' ' LEU . 3.8 mp -100.09 170.65 8.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.671 179.707 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 7.6 p -136.55 141.18 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' A' 1547 ' ' ILE . 26.6 ttpp -70.44 145.05 51.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 -179.807 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' 1632 ' ' ARG . . . 100.02 -31.91 7.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.677 179.871 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.46 168.91 16.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.906 0.384 . . . . 0.0 111.332 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.563 ' HB3' ' HZ1' ' A' 1544 ' ' LYS . 20.8 mt-30 -114.08 144.64 42.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.589 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.407 ' CD1' ' HA ' ' A' 1629 ' ' TYR . 94.3 m-85 -138.67 158.98 43.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.027 0.442 . . . . 0.0 111.498 -179.583 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.451 ' C ' HD12 ' A' 1601 ' ' ILE . 59.2 tp -105.89 134.88 48.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.31 179.513 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' 1601 ' ' ILE . 3.3 mp -118.33 131.51 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 111.771 -179.261 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.76 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 75.3 mtp -146.03 107.81 4.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.209 179.5 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.751 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -177.67 -175.0 44.52 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 119.907 -1.139 . . . . 0.0 113.518 -179.575 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' 1605 ' ' GLU . 4.7 tppp? -54.4 161.32 1.43 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.789 0.328 . . . . 0.0 111.26 -179.679 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.556 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.1 pt-20 -58.45 176.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.363 -179.796 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.468 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -76.97 177.01 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.344 -179.785 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.61 HD23 ' HD3' ' A' 1620 ' ' PRO . 4.3 mm? -88.71 -158.55 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.832 179.822 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.657 ' HA ' ' HD1' ' A' 1617 ' ' TYR . 8.9 tt0 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.808 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.657 ' HD1' ' HA ' ' A' 1608 ' ' GLN . 7.5 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.743 0.306 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.68 HD12 HG21 ' A' 1583 ' ' ILE . 36.1 pt -142.0 174.07 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.423 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' 1582 ' ' PHE . 45.1 m-85 -129.12 113.6 18.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.121 -179.535 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . 0.61 ' HD3' HD23 ' A' 1607 ' ' LEU . 84.4 Cg_endo -80.45 168.24 18.38 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.789 2.326 . . . . 0.0 112.375 -179.828 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' 1582 ' ' PHE . 2.8 mm? -120.03 97.21 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.451 ' C ' ' HA2' ' A' 1515 ' ' GLY . 10.6 m-20 -125.26 176.44 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 43.2 t -64.69 -25.87 68.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' 1625 ' ' THR . 4.5 pp -72.72 -32.71 65.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.633 179.781 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.539 ' N ' HD12 ' A' 1624 ' ' LEU . 54.5 m -78.62 104.04 8.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.76 ' HB3' ' HB2' ' A' 1602 ' ' MET . 45.0 t-105 -61.68 119.84 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.862 179.902 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.527 HD11 HD12 ' A' 1621 ' ' LEU . 60.7 mt -127.65 108.92 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.786 179.849 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -114.89 147.68 39.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.407 ' HA ' ' CD1' ' A' 1599 ' ' TYR . 12.3 t80 -90.35 110.09 21.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.728 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.0 t90 -98.13 107.12 39.36 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.259 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.46 ' HB2' HD21 ' A' 1643 ' ' LEU . 71.6 Cg_exo -48.49 106.48 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.593 2.195 . . . . 0.0 112.499 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.54 ' HA ' ' NE2' ' A' 1598 ' ' GLN . 78.5 ttt180 -52.56 -33.86 47.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.023 179.831 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -98.25 168.49 10.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.843 HG22 HD13 ' A' 1643 ' ' LEU . 64.1 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.51 ' HG2' HD12 ' A' 1643 ' ' LEU . 49.8 mt-30 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . 0.418 ' O ' HD21 ' A' 1523 ' ' LEU . . . -61.18 -22.79 65.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.61 ' HB3' HD22 ' A' 1521 ' ' LEU . 77.4 t80 -117.59 -14.17 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.639 179.888 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.843 HD13 HG22 ' A' 1634 ' ' THR . 62.8 mt -81.72 5.23 19.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -106.64 -56.67 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -64.29 -22.02 66.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.404 HD22 ' CE2' ' A' 1642 ' ' PHE . 57.5 tp -85.52 -23.58 27.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.728 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.06 -38.11 78.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.594 179.881 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.28 -32.9 73.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.64 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.662 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 75.9 t80 -61.89 -35.09 77.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.31 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.203 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -78.54 -5.4 52.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.162 -179.441 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.826 ' HA ' HD21 ' A' 1656 ' ' ASN . 17.2 t70 -96.69 -9.85 28.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.721 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.877 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 8.3 tp -118.18 -21.14 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.128 0.489 . . . . 0.0 110.464 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -87.38 -30.21 20.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.005 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' 1655 ' ' LEU . 2.6 tm? -99.24 -72.95 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.078 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.826 HD21 ' HA ' ' A' 1652 ' ' ASP . 1.7 p30 -82.97 -39.41 21.4 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.705 -179.198 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.877 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 62.3 -132.89 45.34 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.409 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.901 179.893 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.965 0.412 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.705 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 18.2 t -86.24 126.88 34.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.65 179.717 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 86.7 -50.63 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.098 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.672 ' H ' HD21 ' A' 1590 ' ' ASN . 36.0 tt0 55.19 100.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.349 . . . . 0.0 111.37 179.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.473 ' HE3' ' N ' ' A' 1592 ' ' GLU . 26.4 mmt -90.6 150.39 21.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -93.0 165.3 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.648 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 46.2 mt-10 -64.76 153.82 38.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.9 133.46 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' 1523 ' ' LEU . 86.6 mt 57.82 22.46 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.648 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 21.9 t70 -60.39 103.81 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.762 179.858 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' 1521 ' ' LEU . 74.7 mt -102.74 97.47 7.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.5 t -174.54 -19.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.999 179.892 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 63.5 mt -76.89 137.76 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 49.0 m -76.09 177.92 6.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -89.52 -3.78 58.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' 1532 ' ' GLN . 15.4 mm-40 -104.07 -23.43 13.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.039 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 61.9 m -67.23 -37.04 82.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -98.51 8.47 44.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.573 ' HE2' HD13 ' A' 1653 ' ' ILE . 26.3 tptp -106.35 -42.1 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.998 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.2 mt-30 -61.6 -18.8 60.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.969 0.414 . . . . 0.0 110.508 179.676 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.732 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 41.6 m -79.2 -25.08 42.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.809 179.754 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -65.82 -54.35 28.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 179.853 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . 0.481 ' HA ' ' HE3' ' A' 1568 ' ' LYS . 34.2 t -84.67 9.58 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.688 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.732 ' HE3' ' HA ' ' A' 1533 ' ' THR . 3.5 tppp? -57.44 135.34 81.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.83 -22.35 23.39 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.511 2.141 . . . . 0.0 112.112 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.779 ' HG3' ' HE2' ' A' 1604 ' ' LYS . 33.7 tt0 -86.86 -58.54 2.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.818 179.794 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.889 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.8 mp -59.43 121.61 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.093 -179.79 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.568 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -83.59 -60.71 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.474 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.513 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.6 p90 -107.13 155.63 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.09 0.472 . . . . 0.0 111.671 -179.412 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.08 100.52 3.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.382 179.8 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.788 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.8 p90 -155.05 170.38 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.028 0.442 . . . . 0.0 111.683 -179.444 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 65.8 pttt -106.92 141.35 38.27 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.164 179.407 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' 1563 ' ' LEU . 19.5 m -136.91 -173.82 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.638 -179.363 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.593 ' HB2' ' HG3' ' A' 1598 ' ' GLN . 23.3 t -152.2 128.27 10.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.77 179.763 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.449 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 43.1 mm -61.95 137.54 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.72 179.906 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . 0.467 ' O ' ' HE2' ' A' 1595 ' ' LYS . 70.4 p -133.49 -13.03 2.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.68 -179.591 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.685 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 41.3 t -154.64 154.44 32.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 111.497 -179.911 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.459 HG12 ' HD1' ' A' 1559 ' ' TYR . 78.4 mt -141.16 140.06 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 83.3 m -147.6 116.58 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.7 p -96.15 140.84 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -109.68 -168.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.746 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . 0.498 ' ND2' HG23 ' A' 1555 ' ' VAL . 16.7 p-10 -59.49 -59.36 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.604 HG12 ' HB ' ' A' 1586 ' ' VAL . 25.3 t -113.4 -49.95 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.078 -179.672 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -84.14 176.6 8.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.043 -179.893 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.85 ' HB ' ' HB3' ' A' 1584 ' ' LYS . 13.1 t -135.34 161.53 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.552 179.892 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.916 ' HG2' HG22 ' A' 1583 ' ' ILE . 96.7 mttt -142.61 143.54 32.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.459 ' HD1' HG12 ' A' 1550 ' ' ILE . 94.1 m-85 -133.19 131.71 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.685 ' HB3' ' HB3' ' A' 1549 ' ' SER . 4.9 tmtp? -109.58 100.97 9.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.353 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.412 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -113.13 168.05 10.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.527 -179.541 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.8 m -113.57 138.2 50.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.91 179.527 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.894 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.4 tt -73.49 137.79 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.85 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.607 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.1 mp -94.72 -47.72 6.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.8 t70 -165.54 137.52 4.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.788 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 69.0 mt -97.2 125.37 50.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.972 0.415 . . . . 0.0 111.866 -179.595 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.491 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 83.3 m-85 -98.98 -12.81 20.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.404 178.629 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.572 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 64.8 tttm -160.39 112.48 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.95 179.393 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 14.3 t -46.51 156.68 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 111.774 -179.371 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.577 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.76 140.91 15.08 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.161 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.568 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 38.5 mt-10 -51.88 -30.51 24.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 0.0 110.221 179.669 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -92.9 47.73 1.3 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.77 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' 1573 ' ' VAL . 7.6 p 41.22 84.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.796 -179.349 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.577 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -84.73 135.12 34.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.629 179.671 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' 1578 ' ' SER . 41.1 tt0 -114.97 139.41 49.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.835 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.495 ' NZ ' ' HB3' ' A' 1576 ' ' LYS . 5.9 ttpm? -61.25 125.39 23.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.31 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.718 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.3 t70 65.83 28.63 10.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.075 0.464 . . . . 0.0 110.807 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.707 ' HB2' ' HB3' ' A' 1575 ' ' GLU . 30.5 t -71.36 -178.46 2.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.621 179.385 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -103.86 104.66 14.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.655 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.706 HD13 HG11 ' A' 1545 ' ' VAL . 32.2 pt -94.87 146.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.341 -179.673 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' 1559 ' ' TYR . 39.8 m -137.1 105.48 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.808 179.662 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.665 ' HE1' HD12 ' A' 1580 ' ' ILE . 62.2 m-85 -101.64 121.91 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 -179.783 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.916 HG22 ' HG2' ' A' 1558 ' ' LYS . 43.4 pt -97.57 128.59 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 179.799 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.85 ' HB3' ' HB ' ' A' 1557 ' ' VAL . 40.8 ttmt -92.46 152.17 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.921 -179.797 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.481 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 97.4 mttt -92.85 178.98 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.635 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.604 ' HB ' HG12 ' A' 1555 ' ' VAL . 9.0 p -89.04 4.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.46 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.8 p -109.75 -36.32 5.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.409 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.705 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.1 m -58.97 101.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.029 -179.815 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 6.9 t -105.42 -29.63 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.07 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.672 HD21 ' H ' ' A' 1516 ' ' GLN . 2.4 p-10 -83.63 -24.02 31.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -83.56 103.87 13.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . 0.473 ' N ' ' HE3' ' A' 1517 ' ' MET . 21.5 mm-40 -121.61 151.08 40.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.967 -179.859 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' 1559 ' ' TYR . 95.9 mt -130.06 114.73 16.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 179.81 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 59.7 t -96.03 139.18 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 -179.896 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.467 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.6 tttm -80.15 139.84 36.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.817 179.887 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 111.94 -68.72 0.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.53 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.464 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 14.7 ptp180 -66.42 178.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.726 HE22 ' HA ' ' A' 1632 ' ' ARG . 1.0 OUTLIER -110.07 165.52 11.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 111.3 -179.615 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.464 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 71.9 m-85 -149.63 134.04 17.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.685 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 60.4 tp -79.29 132.17 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.276 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.513 HG22 ' HE1' ' A' 1541 ' ' TYR . 44.5 mm -123.33 119.01 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.986 0.422 . . . . 0.0 111.689 -179.467 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.485 ' HE2' ' HB ' ' A' 1533 ' ' THR . 77.8 mtp -141.23 113.22 7.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.255 179.495 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.889 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 177.57 -170.29 42.67 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.006 -1.092 . . . . 0.0 113.425 -179.636 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.779 ' HE2' ' HG3' ' A' 1538 ' ' GLU . 65.6 mmtt -50.54 157.96 0.68 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.861 0.362 . . . . 0.0 111.258 -179.915 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -71.9 -179.88 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.782 179.899 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -90.44 155.79 18.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.84 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' 1617 ' ' TYR . 8.6 mp -60.37 174.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.837 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.728 ' HG3' ' HE1' ' A' 1617 ' ' TYR . 59.5 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.701 -179.758 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.728 ' HE1' ' HG3' ' A' 1608 ' ' GLN . 11.3 m-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.803 0.335 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 47.2 mm -125.27 131.12 72.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -92.65 108.22 29.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.0 171.92 16.96 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.555 2.17 . . . . 0.0 112.458 -179.891 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' 1582 ' ' PHE . 99.0 mt -143.92 110.14 5.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' 1624 ' ' LEU . 5.5 p-10 -141.43 -160.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.053 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.3 p -82.51 42.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.614 -179.504 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' 1625 ' ' THR . 0.0 OUTLIER -143.47 -17.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 179.636 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.491 ' N ' HD23 ' A' 1624 ' ' LEU . 40.0 m -73.05 118.86 16.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.267 -179.777 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.401 ' HB3' ' HB2' ' A' 1602 ' ' MET . 54.6 t-105 -84.55 100.6 11.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.627 179.84 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.0 mt -112.64 128.28 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.685 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 40.8 tt0 -128.17 155.96 43.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 22.6 t80 -90.75 114.69 27.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.821 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.687 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 5.2 t-105 -94.71 111.21 53.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.371 179.625 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.529 ' HB2' HD21 ' A' 1643 ' ' LEU . 79.4 Cg_exo -47.56 104.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.47 2.113 . . . . 0.0 112.548 -179.807 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.726 ' HA ' HE22 ' A' 1598 ' ' GLN . 79.7 ttt180 -59.35 -27.43 65.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.792 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.11 146.47 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.521 HG22 ' HG ' ' A' 1643 ' ' LEU . 71.1 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.548 ' HA ' HD23 ' A' 1643 ' ' LEU . 4.8 tp-100 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.776 0.322 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -54.45 -33.18 59.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.533 -179.495 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 36.6 t80 -68.52 -40.97 80.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 110.817 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.9 mm? -67.7 -17.95 64.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.03 -49.74 22.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.86 -14.17 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.651 179.848 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 59.5 tp -96.29 -22.29 17.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.67 -33.76 73.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.22 -40.0 88.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.691 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.524 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 84.1 t80 -64.55 -30.38 71.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -66.67 -58.51 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.349 -179.868 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -70.64 -8.69 53.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.272 -179.451 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.572 ' HA ' HD22 ' A' 1656 ' ' ASN . 17.2 t70 -77.22 -71.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.722 HD12 ' HA2' ' A' 1657 ' ' GLY . 7.0 tp -57.7 -29.96 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.413 . . . . 0.0 110.998 179.869 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.06 -49.68 59.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.98 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.67 -71.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.648 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.572 HD22 ' HA ' ' A' 1652 ' ' ASP . 20.4 m-80 -56.82 -72.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.226 -179.871 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.722 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.3 -176.36 47.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 -179.865 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.893 -179.969 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.813 0.339 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 12.0 p -88.89 21.44 3.08 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.468 0.651 . . . . 0.0 110.144 179.595 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.829 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 132.44 78.2 0.14 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.246 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -54.37 103.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.526 ' HE3' ' H ' ' A' 1592 ' ' GLU . 21.6 ptp -69.13 168.04 14.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.47 -178.32 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.98 -178.7 1.04 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.74 -88.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 67.1 mt -98.16 100.73 12.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -145.83 110.26 5.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 48.3 mt -78.6 6.11 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.639 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 74.4 p -67.16 -21.59 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 66.5 mt -98.46 135.8 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . 0.414 ' HB3' ' OG1' ' A' 1529 ' ' THR . 47.4 t -91.4 165.1 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -68.16 -24.33 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.2 mt-10 -93.59 -26.77 16.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' 1526 ' ' SER . 79.1 m -61.7 -41.88 98.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.45 ' NH1' ' HG2' ' A' 1628 ' ' GLU . 16.0 ptp180 -85.79 -11.06 54.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.553 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.3 tmtp? -83.81 -26.84 29.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.48 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.0 mm-40 -53.53 -22.61 8.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 179.628 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.921 ' HA ' ' HD3' ' A' 1536 ' ' LYS . 62.4 m -82.53 -34.93 27.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.741 179.61 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.461 ' HA ' HG21 ' A' 1539 ' ' ILE . . . -63.06 -10.56 14.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 44.2 t -120.38 65.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.056 0.455 . . . . 0.0 110.739 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.921 ' HD3' ' HA ' ' A' 1533 ' ' THR . 14.9 mtpp -143.37 155.68 60.96 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.01 -34.53 80.36 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.627 ' HG3' HD12 ' A' 1539 ' ' ILE . 4.4 pt-20 -77.3 -6.07 51.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.88 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.1 mp -110.27 115.74 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.645 179.331 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -92.96 -54.95 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.696 -179.783 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.506 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 3.9 p90 -116.46 167.91 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.234 0.54 . . . . 0.0 112.171 -178.915 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.691 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -159.0 107.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.798 179.095 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.57 ' HA ' ' HD1' ' A' 1567 ' ' TYR . 1.2 p90 -157.83 178.32 10.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.133 0.492 . . . . 0.0 111.774 -178.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' 1564 ' ' LEU . 26.8 ttpp -109.61 132.06 54.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.315 179.732 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.855 HG12 ' HA ' ' A' 1563 ' ' LEU . 29.9 m -131.53 178.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.491 -179.674 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.505 ' HB3' HD21 ' A' 1564 ' ' LEU . 22.9 t -147.95 124.88 11.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.716 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.687 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.8 mm -61.53 145.81 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 -179.896 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 6.9 t -150.1 -10.37 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.256 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.716 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 54.4 m -145.61 137.07 25.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.036 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.508 HG12 ' HD1' ' A' 1559 ' ' TYR . 74.3 mt -135.57 128.87 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.1 m -114.78 110.38 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 90.2 t -110.43 122.52 65.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.666 179.604 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -108.81 -68.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -165.63 -58.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 27.7 t -109.96 -50.98 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -87.29 120.03 28.15 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.901 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 44.4 t -109.28 147.93 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.841 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.3 mttt -131.65 152.97 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.014 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.508 ' HD1' HG12 ' A' 1550 ' ' ILE . 97.2 m-85 -137.4 98.71 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.716 ' HB2' ' HB2' ' A' 1549 ' ' SER . 61.1 mttp -85.95 126.15 33.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.335 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.687 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -132.42 177.93 7.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 111.718 -179.442 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -117.64 145.71 44.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.733 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.855 ' HA ' HG12 ' A' 1545 ' ' VAL . 15.8 tp -77.71 119.61 21.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.971 0.415 . . . . 0.0 110.289 179.181 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' 1545 ' ' VAL . 0.7 OUTLIER -78.32 -38.39 42.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.773 -179.681 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.539 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.4 t70 -172.71 146.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.592 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.783 HG12 HD21 ' A' 1563 ' ' LEU . 52.8 mt -90.49 130.52 39.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.745 -179.767 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.57 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 64.6 m-85 -111.52 -19.8 12.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.128 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.691 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 63.4 tttm -160.3 107.05 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.568 179.116 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 41.7 m -40.81 141.12 0.62 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.055 -179.167 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.775 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -104.22 135.26 12.36 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.397 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.05 -19.25 51.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.47 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -85.03 54.1 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.434 179.336 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' 1573 ' ' VAL . 9.3 p 42.89 39.4 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.594 -179.804 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.775 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -63.37 136.69 57.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.77 179.664 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.59 ' C ' HD11 ' A' 1566 ' ' ILE . 12.8 pt-20 -145.99 154.38 41.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.767 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.592 ' N ' HD11 ' A' 1566 ' ' ILE . 55.8 mtpt -47.01 131.23 12.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.308 -179.508 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.668 ' HA ' ' O ' ' A' 1563 ' ' LEU . 5.5 p-10 42.5 63.36 1.44 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.484 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.631 ' H ' ' HB3' ' A' 1563 ' ' LEU . 51.9 p -98.98 -167.35 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.744 179.662 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -111.54 133.1 54.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.517 179.607 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.792 HD12 ' HE2' ' A' 1582 ' ' PHE . 16.5 pt -134.2 149.7 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.455 -179.464 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 27.6 m -136.62 102.08 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.838 179.703 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.792 ' HE2' HD12 ' A' 1580 ' ' ILE . 78.5 m-85 -93.7 114.99 27.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.167 -179.881 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.841 HG22 ' HG2' ' A' 1558 ' ' LYS . 42.7 pt -100.84 144.85 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.632 ' HE3' ' HB3' ' A' 1588 ' ' CYS . 0.1 OUTLIER -149.91 162.44 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 -179.798 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -86.38 156.1 20.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.7 p -61.71 -27.61 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.9 p -63.93 -23.75 67.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.632 ' HB3' ' HE3' ' A' 1584 ' ' LYS . 34.3 t -63.4 91.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 8.8 t -104.75 -0.76 27.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -97.03 -24.5 15.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.034 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.618 ' HB3' ' SG ' ' A' 1588 ' ' CYS . . . -118.93 106.15 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.227 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . 0.526 ' H ' ' HE3' ' A' 1517 ' ' MET . 41.2 tt0 -125.18 142.47 51.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.73 179.911 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.61 HD13 HD11 ' A' 1547 ' ' ILE . 80.4 mt -116.31 158.1 23.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.832 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.468 ' HB ' ' HB2' ' A' 1597 ' ' ARG . 47.0 t -119.88 139.56 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.035 -179.871 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 62.8 tttp -63.82 107.1 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.611 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 90.93 43.53 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.181 -179.726 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.512 ' HB3' ' CE2' ' A' 1599 ' ' TYR . 10.6 tpt180 -127.56 145.53 50.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.608 0.242 . . . . 0.0 110.741 -179.789 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -91.55 129.88 37.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' 1597 ' ' ARG . 73.4 m-85 -137.39 159.25 42.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.259 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.519 HD23 ' N ' ' A' 1601 ' ' ILE . 3.0 tt -102.61 129.59 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.884 179.396 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.519 ' N ' HD23 ' A' 1600 ' ' LEU . 93.8 mt -134.73 126.95 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.093 0.473 . . . . 0.0 112.087 -179.212 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.59 ' HG3' ' HB3' ' A' 1626 ' ' TRP . 0.2 OUTLIER -153.65 115.42 4.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.425 178.898 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.88 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 173.99 -157.25 25.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.333 -179.699 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 23.0 tptm -44.6 154.07 0.14 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.017 0.437 . . . . 0.0 111.956 -179.302 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.7 pt-20 -92.53 -167.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.403 ' HB2' ' HA ' ' A' 1619 ' ' TYR . . . -119.59 124.56 46.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.032 179.811 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' 1607 ' ' LEU . 3.4 mm? -108.46 108.63 19.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.771 ' HG3' ' H ' ' A' 1618 ' ' ILE . 17.8 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.099 0.476 . . . . 0.0 110.634 -179.723 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.606 ' HD1' ' HB2' ' A' 1608 ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.899 0.38 . . . . 0.0 111.091 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.771 ' H ' ' HG3' ' A' 1608 ' ' GLN . 38.8 pt -120.49 128.31 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.494 179.349 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' 1582 ' ' PHE . 6.1 m-85 -82.42 127.29 71.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.166 -179.188 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -77.36 170.61 19.13 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.586 2.191 . . . . 0.0 112.243 179.8 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' 1584 ' ' LYS . 29.5 tp -139.68 94.94 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -122.93 -172.9 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.829 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 47.3 t -83.27 7.24 16.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' 1625 ' ' THR . 4.6 pp -92.78 -30.81 15.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 179.828 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.606 ' N ' HD12 ' A' 1624 ' ' LEU . 52.9 m -79.65 134.06 36.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.343 -179.645 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.59 ' HB3' ' HG3' ' A' 1602 ' ' MET . 59.5 t-105 -77.69 127.62 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.519 HD11 HD11 ' A' 1621 ' ' LEU . 60.8 mt -132.71 114.55 22.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.831 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.45 ' HG2' ' NH1' ' A' 1530 ' ' ARG . 9.9 tp10 -130.48 118.13 20.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.502 ' HA ' ' HD1' ' A' 1599 ' ' TYR . 29.2 t80 -56.68 132.59 52.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 179.897 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -100.39 104.24 28.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.216 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.707 ' HB2' HD11 ' A' 1643 ' ' LEU . 74.6 Cg_exo -49.35 102.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.633 2.222 . . . . 0.0 112.581 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -77.59 -26.1 50.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -90.98 132.1 36.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.933 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.692 ' HA ' HD23 ' A' 1643 ' ' LEU . 47.8 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.815 0.341 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.73 69.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.229 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' 1646 ' ' LEU . 56.2 t80 -70.95 -36.71 72.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -66.41 -42.01 88.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.83 92.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.007 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.1 -30.18 71.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' 1642 ' ' PHE . 92.0 mt -70.55 -29.71 66.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.696 179.768 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.53 -32.45 73.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.553 179.663 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.93 -31.69 71.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.595 179.666 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.494 ' O ' HG22 ' A' 1653 ' ' ILE . 77.0 t80 -74.25 -33.75 63.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.707 179.824 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.58 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.425 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -99.65 -4.67 30.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.508 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' 1656 ' ' ASN . 19.8 t70 -95.59 -13.98 23.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.494 HG22 ' O ' ' A' 1649 ' ' PHE . 9.5 tp -111.41 -25.65 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.817 179.865 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.3 t80 -85.91 -50.11 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.452 ' O ' HD23 ' A' 1655 ' ' LEU . 4.9 tt -73.67 -48.31 33.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.527 -179.578 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.642 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -78.37 -71.37 0.43 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.145 -179.626 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 66.58 86.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.398 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 42.9 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.46 ' HA ' ' CG ' ' A' 1590 ' ' ASN . 8.3 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.566 0.222 . . . . 0.0 111.371 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.581 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 37.0 t 48.84 78.75 0.08 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.063 0.459 . . . . 0.0 110.236 -179.34 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 102.28 43.62 2.0 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.607 -179.089 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.422 ' HG2' ' HB3' ' A' 1513 ' ' ASP . 95.8 mt-30 -45.5 109.34 0.17 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.414 -0.393 . . . . 0.0 111.115 -179.64 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' 1590 ' ' ASN . 19.0 ptp -100.42 -176.8 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -103.78 173.58 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -83.74 42.63 0.86 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 58.54 -90.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.066 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 32.9 mt -105.38 96.66 6.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -142.97 122.26 13.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 179.673 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' 1525 ' ' ILE . 84.9 mt -77.61 -133.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.471 179.839 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 43.5 p 52.25 20.62 1.4 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.739 0.305 . . . . 0.0 111.482 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' 1523 ' ' LEU . 78.6 mt -131.28 107.21 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 179.85 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 79.9 p -73.11 174.44 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -79.33 -5.59 54.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -100.14 -2.42 34.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.1 m -85.9 -31.28 22.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' 1530 ' ' ARG . 46.1 mtm180 -99.3 -32.17 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . . . . . . . . . 60.7 tttm -57.13 -40.37 76.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.16 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' 1536 ' ' LYS . 29.4 mm-40 -58.76 -23.15 59.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.052 0.453 . . . . 0.0 110.055 179.387 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.547 ' HB ' ' HE2' ' A' 1602 ' ' MET . 56.4 m -87.62 -22.84 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.455 179.508 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.551 ' HA ' ' HB2' ' A' 1542 ' ' ALA . . . -76.54 0.8 18.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.052 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 10.7 t -150.04 9.52 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.605 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.797 ' HB3' HG12 ' A' 1539 ' ' ILE . 36.9 ttmt -66.66 138.99 95.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.693 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.31 -49.49 14.19 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.627 2.218 . . . . 0.0 112.719 -179.814 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.87 -29.69 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.114 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.931 HD12 ' HA2' ' A' 1603 ' ' GLY . 28.7 mm -82.26 139.03 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 111.081 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.401 ' HB3' ' N ' ' A' 1605 ' ' GLU . . . -107.84 -18.26 13.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.467 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.671 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.7 p90 -158.34 160.06 36.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.478 0.656 . . . . 0.0 112.457 -179.214 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.669 ' N ' ' HB3' ' A' 1568 ' ' LYS . . . -149.27 89.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.557 179.262 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.628 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.2 OUTLIER -131.19 169.57 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.215 0.531 . . . . 0.0 112.378 -178.303 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 86.7 tttt -104.12 109.8 21.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.155 179.512 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.811 HG21 HD12 ' A' 1601 ' ' ILE . 1.9 t -94.08 176.73 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.002 -179.243 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.719 ' H ' HG12 ' A' 1545 ' ' VAL . 88.1 p -155.74 103.98 2.3 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.551 179.572 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.796 HD13 ' HB2' ' A' 1561 ' ' ALA . 50.4 mm -50.48 137.45 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.817 0.341 . . . . 0.0 111.262 -179.719 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' 1561 ' ' ALA . 4.5 t -141.61 -14.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.446 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.775 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 36.9 t -147.81 149.35 32.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 0.0 111.276 179.879 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -146.22 141.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.9 m -147.58 98.47 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.46 ' HA ' HG23 ' A' 1557 ' ' VAL . 7.0 p -96.97 140.8 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.3 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -113.15 -169.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -62.78 -23.46 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.843 HG13 ' H ' ' A' 1556 ' ' PHE . 1.3 p -138.64 -79.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.843 ' H ' HG13 ' A' 1555 ' ' VAL . 95.8 m-85 -64.17 142.99 58.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.908 179.742 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' 1552 ' ' VAL . 10.3 p -126.1 141.98 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.678 ' HG3' HG22 ' A' 1583 ' ' ILE . 11.1 mptt -114.54 150.37 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 -179.724 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.556 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 89.8 m-85 -140.07 101.43 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 179.714 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.775 ' HB2' ' HB3' ' A' 1549 ' ' SER . 95.8 mttt -90.76 139.62 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.507 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.796 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -143.93 175.12 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.035 0.445 . . . . 0.0 111.53 -179.625 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 15.8 m -118.6 134.67 54.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.798 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.691 HD13 HD11 ' A' 1566 ' ' ILE . 44.5 mt -76.0 96.11 3.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' 1546 ' ' SER . 70.6 mt -57.39 -31.27 65.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.894 0.378 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.626 ' O ' ' HB2' ' A' 1543 ' ' TYR . 22.0 t70 -170.33 168.2 8.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.428 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.691 HD11 HD13 ' A' 1563 ' ' LEU . 47.5 mt -139.67 120.22 14.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.63 179.795 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -96.92 -32.58 11.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.167 0.508 . . . . 0.0 109.927 179.057 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.669 ' HB3' ' N ' ' A' 1542 ' ' ALA . 56.8 tptt -124.5 106.99 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.757 179.031 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 57.9 m -47.19 139.56 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.903 -179.079 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.863 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -91.3 127.88 9.08 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.437 179.901 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.62 -25.59 64.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.638 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.493 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -91.6 42.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.594 179.439 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 72.3 t 59.3 93.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.4 -179.803 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.863 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -126.46 125.3 41.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.363 179.435 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -131.28 159.46 37.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.321 -179.409 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.29 121.02 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.561 179.772 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.551 ' HA ' ' O ' ' A' 1563 ' ' LEU . 21.1 t70 61.07 67.6 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.593 ' H ' ' HB2' ' A' 1563 ' ' LEU . 67.8 m -114.45 179.47 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.599 179.769 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -107.76 105.07 14.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 179.77 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' 1561 ' ' ALA . 2.5 pp -109.63 154.91 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.519 -179.815 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 30.5 m -130.67 120.09 23.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' 1619 ' ' TYR . 66.0 m-85 -113.8 109.63 18.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.718 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.678 HG22 ' HG3' ' A' 1558 ' ' LYS . 46.7 pt -102.19 164.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 -179.893 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.635 ' HB3' HD12 ' A' 1621 ' ' LEU . 52.6 pttt -166.12 -172.35 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.756 179.791 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 67.0 mttm -106.33 -175.86 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.1 p -91.48 -17.22 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.0 p -69.25 -24.97 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.253 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.581 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.6 m -59.81 105.1 0.34 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 88.8 m -94.03 -30.53 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.323 -179.648 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.46 ' CG ' ' HA ' ' A' 1513 ' ' ASP . 2.8 m-20 -86.36 11.14 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.267 -179.651 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -123.99 136.62 54.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 111.251 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -170.4 114.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.623 HD13 HD11 ' A' 1547 ' ' ILE . 70.9 mt -110.09 158.02 18.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 -179.851 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' 1597 ' ' ARG . 11.0 p -144.75 144.73 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 61.5 tttp -74.82 146.85 41.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 91.56 -10.43 74.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.556 179.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.408 ' HB2' HG13 ' A' 1594 ' ' VAL . 10.8 mpt_? -105.7 169.85 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 111.271 -179.857 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -107.89 149.08 28.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.434 ' CD2' HG12 ' A' 1547 ' ' ILE . 72.1 m-85 -143.62 148.7 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.087 0.47 . . . . 0.0 111.81 -179.436 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' 1543 ' ' TYR . 58.2 tp -113.32 118.07 33.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.96 179.063 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.811 HD12 HG21 ' A' 1545 ' ' VAL . 82.4 mt -115.34 126.77 73.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.157 0.503 . . . . 0.0 112.092 -179.051 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 74.1 mtp -140.86 109.34 5.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.993 179.489 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.931 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -176.65 -168.28 36.46 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 119.946 -1.121 . . . . 0.0 113.742 -179.383 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.414 ' HE3' ' HG2' ' A' 1605 ' ' GLU . 60.2 tptt -55.5 157.09 4.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.868 0.366 . . . . 0.0 111.355 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.6 pt-20 -66.54 -170.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.323 -179.8 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.493 ' H ' ' HB2' ' A' 1572 ' ' ALA . . . -88.41 175.24 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.271 -179.852 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 9.5 mp -110.29 113.62 26.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.606 179.571 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.55 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 40.4 mt-30 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.005 -179.626 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.55 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 14.1 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.642 0.258 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 48.3 pt -128.91 135.48 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 0.0 110.974 179.556 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.531 ' O ' ' HA ' ' A' 1582 ' ' PHE . 36.4 m-85 -88.5 131.16 42.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.297 -179.308 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.73 -169.99 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.687 2.258 . . . . 0.0 112.207 179.654 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' 1584 ' ' LYS . 81.6 mt -144.91 100.08 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.739 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.82 ' HB2' HD23 ' A' 1624 ' ' LEU . 10.1 m-20 -122.6 -172.02 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 20.1 m -79.76 -5.35 55.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.649 -179.421 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.82 HD23 ' HB2' ' A' 1622 ' ' ASP . 0.3 OUTLIER -88.55 -32.64 18.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.555 ' N ' ' HG ' ' A' 1624 ' ' LEU . 89.9 m -64.58 108.69 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.174 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.44 ' HB3' ' HB2' ' A' 1602 ' ' MET . 57.1 t-105 -62.56 112.17 2.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -114.26 111.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -128.93 112.86 14.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 78.0 t80 -59.62 133.3 55.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -101.53 108.21 54.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.389 179.772 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.56 ' HB2' HD11 ' A' 1643 ' ' LEU . 78.0 Cg_exo -50.41 120.18 6.0 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.666 2.244 . . . . 0.0 112.557 -179.723 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -78.66 -33.82 46.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -86.81 128.72 35.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.713 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.5 p . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.866 ' HA ' HD23 ' A' 1643 ' ' LEU . 11.3 pt20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.746 0.308 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.76 94.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -80.41 -25.6 38.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.866 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -77.1 -5.89 50.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.56 -24.73 31.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -89.44 -15.62 32.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.69 -28.47 30.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.13 -36.4 79.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.36 -43.44 94.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.766 179.823 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.545 ' O ' HG22 ' A' 1653 ' ' ILE . 86.7 t80 -68.44 -30.57 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.968 179.89 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.37 51.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.306 -179.853 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -116.55 -4.27 11.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' 1656 ' ' ASN . 18.8 t70 -87.91 -16.18 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.035 -179.848 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.548 HD12 ' HA2' ' A' 1657 ' ' GLY . 8.6 tp -110.05 -29.2 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.777 179.794 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 44.3 t80 -78.05 -47.01 19.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -79.5 -52.75 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.787 -179.424 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.656 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -78.92 -77.78 0.16 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.277 -179.46 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.548 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.3 150.62 2.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.354 -0.832 . . . . 0.0 111.034 -179.916 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.497 ' HB3' ' HB3' ' A' 1516 ' ' GLN . 9.5 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.708 0.29 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 41.5 t 58.45 101.19 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 63.18 43.67 98.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.275 -179.669 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.497 ' HB3' ' HB3' ' A' 1513 ' ' ASP . 16.9 pt20 -54.93 116.26 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.941 0.4 . . . . 0.0 110.974 -179.87 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 66.1 mtt -93.78 142.21 27.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -87.43 -178.57 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.66 172.44 2.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -93.5 -15.95 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 69.0 mt -148.37 102.06 3.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.556 ' OD1' HG13 ' A' 1525 ' ' ILE . 11.8 t70 -138.79 113.14 8.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.555 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 35.3 mt -103.02 17.46 24.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 76.4 p -97.36 -4.95 37.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.31 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.556 HG13 ' OD1' ' A' 1522 ' ' ASP . 89.8 mt -94.71 137.39 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.0 t -82.96 163.19 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -93.52 -4.24 51.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -106.79 -13.27 15.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 73.2 m -80.78 -50.79 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.75 HH22 HD23 ' A' 1646 ' ' LEU . 34.9 ptt180 -76.02 -22.61 55.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.905 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.501 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 84.5 tttt -60.18 -34.29 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -60.56 -23.97 65.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.272 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.822 ' HA ' ' HG2' ' A' 1536 ' ' LYS . 31.9 m -79.99 -21.03 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -80.7 4.32 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.47 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.5 t -144.67 18.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.218 -179.639 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.822 ' HG2' ' HA ' ' A' 1533 ' ' THR . 35.0 mmtp -61.78 156.97 52.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.782 179.747 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.08 -10.5 25.84 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.424 2.083 . . . . 0.0 111.951 179.511 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.855 ' HG3' HD12 ' A' 1539 ' ' ILE . 6.6 pt-20 -108.57 -51.8 2.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.101 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.855 HD12 ' HG3' ' A' 1538 ' ' GLU . 1.9 mp -52.02 119.07 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.99 0.424 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.778 ' HB1' ' H ' ' A' 1571 ' ' GLU . . . -90.9 -58.34 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' 1568 ' ' LYS . 5.5 p90 -101.09 144.09 30.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.519 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -153.51 104.55 2.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.779 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER -179.67 -122.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.411 178.387 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.634 ' HD3' HE21 ' A' 1598 ' ' GLN . 4.4 ttmp? -131.99 140.7 49.04 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.395 0.616 . . . . 0.0 112.046 -177.686 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.798 HG12 ' HA ' ' A' 1563 ' ' LEU . 4.5 m -141.09 140.05 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 179.355 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.681 ' HB2' HD11 ' A' 1564 ' ' LEU . 31.0 t -112.57 143.84 43.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.96 0.409 . . . . 0.0 111.592 -179.014 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.719 HG13 HD12 ' A' 1593 ' ' LEU . 32.3 mm -82.06 120.68 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.549 179.572 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 76.6 p -97.24 -18.57 19.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.713 ' HA ' ' HE3' ' A' 1595 ' ' LYS . 33.4 t -161.89 167.68 24.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.819 -179.575 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.512 HG12 ' HD1' ' A' 1559 ' ' TYR . 85.3 mt -136.08 112.88 13.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.689 179.795 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 62.1 m -112.27 141.43 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.215 -179.706 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.4 p -141.36 137.55 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -106.3 -71.66 0.74 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . 0.444 ' OD1' HG23 ' A' 1555 ' ' VAL . 6.2 p30 -157.47 -45.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.444 HG23 ' OD1' ' A' 1554 ' ' ASN . 99.1 t -126.41 -56.42 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.72 108.76 14.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 179.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -82.1 156.0 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.922 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.791 ' HG2' HG22 ' A' 1583 ' ' ILE . 96.1 mttt -144.65 104.88 4.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.584 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 91.2 m-85 -95.67 121.04 36.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.713 ' HB3' ' HB3' ' A' 1549 ' ' SER . 17.3 tppt? -76.56 121.11 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.125 179.412 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' 1547 ' ' ILE . . . -121.57 -177.3 3.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.03 0.443 . . . . 0.0 111.775 -179.413 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . 0.582 HG23 ' O ' ' A' 1578 ' ' SER . 21.1 m -150.36 116.51 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.641 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.798 ' HA ' HG12 ' A' 1545 ' ' VAL . 64.3 tp -64.81 92.09 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.754 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' 1546 ' ' SER . 85.7 mt -56.24 -55.15 36.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.026 0.441 . . . . 0.0 110.854 -179.037 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.779 ' O ' ' HB3' ' A' 1543 ' ' TYR . 9.6 m-20 -144.14 163.51 33.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.708 179.623 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.775 HG23 HD11 ' A' 1563 ' ' LEU . 0.3 OUTLIER -141.79 106.91 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -179.327 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.637 ' H ' ' HB2' ' A' 1543 ' ' TYR . 57.0 m-85 -63.05 -33.44 75.44 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.358 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' A' 1541 ' ' TYR . 62.6 tttp -133.92 112.43 11.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.101 -1.409 . . . . 0.0 108.778 178.588 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . 0.405 HG23 ' O ' ' A' 1574 ' ' ALA . 91.6 m -51.07 145.34 7.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.117 -178.913 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.496 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -82.28 129.87 9.33 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.047 179.433 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.778 ' H ' ' HB1' ' A' 1540 ' ' ALA . 39.0 mt-10 -67.02 -12.87 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 111.169 -179.711 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -112.55 71.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 179.678 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 99.3 t 49.78 89.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.544 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.496 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -150.16 127.51 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.916 179.527 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -140.62 164.46 30.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.807 -179.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.546 ' HB2' ' NZ ' ' A' 1576 ' ' LYS . 4.4 ttmp? -60.02 109.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.635 179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . . . . . . . . . 19.9 t70 68.15 71.11 0.32 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.663 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.582 ' O ' HG23 ' A' 1562 ' ' THR . 39.2 p -126.83 -167.46 1.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.8 131.02 52.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.72 HD12 ' HE1' ' A' 1582 ' ' PHE . 15.3 pt -143.31 165.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.048 -179.796 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 28.9 m -137.28 129.4 29.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.543 -179.77 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.72 ' HE1' HD12 ' A' 1580 ' ' ILE . 49.5 m-85 -115.42 103.33 10.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.61 179.493 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.791 HG22 ' HG2' ' A' 1558 ' ' LYS . 47.7 pt -88.59 146.43 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.302 -179.718 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.584 ' HE2' ' HE2' ' A' 1559 ' ' TYR . 39.4 ttpt -130.79 149.64 52.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.822 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.463 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 96.0 mttt -87.06 171.02 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.683 179.729 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.7 p -77.4 -25.83 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -179.855 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.7 p -67.48 -33.94 76.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.336 -179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 0.0 OUTLIER -65.99 94.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.879 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 8.1 t -100.65 -12.86 18.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -85.53 -13.79 47.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.426 ' HB3' ' HD2' ' A' 1584 ' ' LYS . . . -84.28 108.44 17.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.177 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -134.97 120.57 19.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.805 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.719 HD12 HG13 ' A' 1547 ' ' ILE . 2.1 pt? -135.96 178.77 6.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.973 -179.843 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.414 ' HB ' ' HD3' ' A' 1597 ' ' ARG . 46.7 t -129.87 146.43 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.713 ' HE3' ' HA ' ' A' 1549 ' ' SER . 87.2 tttt -74.69 115.4 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 119.05 -33.59 4.67 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.692 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.414 ' HD3' ' HB ' ' A' 1594 ' ' VAL . 10.7 mpt_? -67.4 164.95 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.013 0.435 . . . . 0.0 111.267 -179.871 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.634 HE21 ' HD3' ' A' 1544 ' ' LYS . 28.2 mt-30 -110.55 136.48 49.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.627 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.81 136.61 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.354 -179.677 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' 1601 ' ' ILE . 10.4 tp -75.68 123.05 24.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.88 179.159 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.728 HD13 HG22 ' A' 1545 ' ' VAL . 1.7 mp -118.45 137.47 52.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.156 0.503 . . . . 0.0 111.904 -179.055 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.759 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 67.4 mtp -149.21 100.95 3.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.17 179.626 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.598 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -156.75 174.76 34.43 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.323 -179.448 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.717 ' HD2' HD11 ' A' 1624 ' ' LEU . 0.0 OUTLIER -66.93 174.3 3.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.893 0.378 . . . . 0.0 111.188 -179.892 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.688 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 0.0 OUTLIER -70.2 165.52 21.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.166 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' 1619 ' ' TYR . . . -67.57 -173.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.355 -179.871 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.8 mt -106.95 -174.94 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.213 179.744 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 2.6 m-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.859 0.361 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.758 HD12 HD13 ' A' 1583 ' ' ILE . 20.5 pt -141.47 131.39 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.423 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' 1582 ' ' PHE . 3.1 m-30 -77.54 118.62 73.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.783 -179.5 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.43 -174.55 2.31 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.621 2.214 . . . . 0.0 112.565 -179.804 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' 1584 ' ' LYS . 87.4 mt -142.53 102.52 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.796 179.776 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -127.46 -176.02 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.1 p -71.2 -11.17 60.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.717 HD11 ' HD2' ' A' 1604 ' ' LYS . 0.7 OUTLIER -87.24 -30.67 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.575 179.903 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.491 ' O ' HG13 ' A' 1627 ' ' ILE . 61.8 m -63.99 99.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.081 -179.83 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.759 ' HB3' ' HB2' ' A' 1602 ' ' MET . 59.2 t-105 -60.11 109.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.723 179.773 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' 1625 ' ' THR . 71.8 mt -119.21 133.12 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.424 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 39.4 tt0 -144.91 155.88 43.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.514 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 34.8 t80 -97.72 117.45 32.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.504 ' CE2' HD13 ' A' 1646 ' ' LEU . 7.2 t-105 -91.41 115.11 63.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.339 179.661 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.91 100.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.446 2.097 . . . . 0.0 112.364 -179.866 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -56.64 -27.83 59.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -94.33 133.77 37.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.819 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.48 ' HA ' HD11 ' A' 1643 ' ' LEU . 72.3 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.725 ' HG3' HD12 ' A' 1643 ' ' LEU . 51.7 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.793 0.33 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.35 -33.12 67.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.278 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 61.5 t80 -80.17 -25.19 39.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.853 ' HA ' HD12 ' A' 1646 ' ' LEU . 62.6 mt -62.83 -24.35 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 -179.872 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -57.71 -58.16 9.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.597 -179.629 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 31.4 p30 -64.47 -12.31 42.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.073 -179.814 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' 1643 ' ' LEU . 94.4 mt -83.42 -38.66 21.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.814 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -72.19 -26.96 62.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.736 179.766 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.45 6.18 9.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.674 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.501 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 58.8 t80 -123.26 -26.4 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.64 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . 0.4 ' HA ' ' OH ' ' A' 1567 ' ' TYR . . . -67.05 -72.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.382 -179.916 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' 1654 ' ' PHE . 25.8 tt0 -69.87 -9.58 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 -179.6 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' 1656 ' ' ASN . 29.8 t70 -69.95 -65.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.821 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' 1649 ' ' PHE . 18.7 tt -70.57 -22.33 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.794 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' 1651 ' ' GLU . 55.8 t80 -70.77 -50.98 30.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.419 ' C ' HD23 ' A' 1655 ' ' LEU . 6.2 tt -79.25 -53.65 6.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.73 -179.638 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.628 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -74.3 -71.46 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.064 -179.74 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 106.18 -170.59 16.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.583 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.144 179.96 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.502 0.192 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' 1516 ' ' GLN . 1.3 m 56.01 -156.45 0.27 Allowed 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.122 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.469 ' O ' HD12 ' A' 1627 ' ' ILE . . . -61.12 80.09 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.763 178.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' 1514 ' ' CYS . 0.5 OUTLIER -48.09 127.77 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 110.938 -179.594 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' 1590 ' ' ASN . 15.2 ptp -95.78 154.85 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.976 -179.887 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -97.97 177.94 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.13 -176.59 0.3 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.91 -173.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . 0.664 HD13 ' HG3' ' A' 1631 ' ' PRO . 2.5 pt? -58.14 132.47 53.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . 0.468 ' OD1' HG23 ' A' 1524 ' ' THR . 52.4 t0 -152.7 133.15 13.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.537 ' HG ' HD21 ' A' 1645 ' ' ASN . 4.5 mp -82.16 22.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.315 -179.603 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . 0.468 HG23 ' OD1' ' A' 1522 ' ' ASP . 75.8 p -95.18 -20.6 19.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 111.316 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.7 mt -80.5 136.63 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 37.7 t -87.23 175.09 8.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.13 39.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.231 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.491 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.5 mt-10 -75.67 -18.26 59.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 26.4 m -62.91 -18.17 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.548 ' NH2' ' HG2' ' A' 1628 ' ' GLU . 59.9 mtt180 -122.5 -24.7 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.994 -179.851 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.721 ' HE2' HD13 ' A' 1653 ' ' ILE . 2.5 tppp? -74.47 -36.63 63.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.332 -179.766 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -74.31 7.32 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.747 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 24.0 m -135.84 -21.47 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.034 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -77.51 -12.27 59.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.9 t -100.45 -29.25 12.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.5 mtmt -63.36 146.57 96.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . 0.46 ' O ' ' HE2' ' A' 1604 ' ' LYS . 37.1 Cg_exo -60.24 -11.97 18.13 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.65 2.234 . . . . 0.0 112.353 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.91 -8.17 34.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.013 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.511 ' CG2' ' HB3' ' A' 1602 ' ' MET . 46.0 mm -128.87 118.8 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 111.987 -179.311 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.497 ' HB2' ' N ' ' A' 1605 ' ' GLU . . . -74.65 -73.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.366 178.837 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.723 ' HB2' HD11 ' A' 1566 ' ' ILE . 48.2 p90 -108.09 132.94 53.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.042 179.637 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.592 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -139.72 116.41 10.82 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.489 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.702 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER 176.29 -124.41 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.229 178.29 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' 1543 ' ' TYR . 36.9 ttpt -126.77 132.4 51.07 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 111.991 -177.411 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.678 HG12 ' HA ' ' A' 1563 ' ' LEU . 6.1 m -137.08 147.34 27.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.079 179.521 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.411 ' CB ' HD21 ' A' 1564 ' ' LEU . 18.5 t -117.62 156.58 27.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 111.41 -179.207 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 37.8 mm -96.82 139.3 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.412 179.547 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 2.4 t -138.56 -10.33 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.679 -179.583 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.928 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 63.4 m -157.17 132.25 8.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 111.261 179.911 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 81.4 mt -131.29 109.96 17.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 77.5 m -125.12 143.35 50.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.4 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.555 HG23 HG22 ' A' 1557 ' ' VAL . 7.3 p -133.5 137.63 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.76 179.756 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -95.86 -80.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.01 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 15.0 m120 -131.49 -72.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.981 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 83.9 t -104.93 -45.22 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' 1584 ' ' LYS . 85.8 m-85 -83.27 120.85 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.555 HG22 HG23 ' A' 1552 ' ' VAL . 24.1 t -99.7 126.77 53.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.662 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.8 OUTLIER -99.62 153.18 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.164 -179.801 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -139.35 106.69 5.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.972 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.928 ' HB2' ' HB2' ' A' 1549 ' ' SER . 3.5 mmmp? -84.12 99.96 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.705 179.767 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -116.35 165.0 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . 0.462 ' O ' HD22 ' A' 1564 ' ' LEU . 2.4 m -121.38 120.9 36.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.939 179.808 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.798 HD21 ' HB ' ' A' 1566 ' ' ILE . 21.0 tp -69.31 100.55 1.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.207 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' 1562 ' ' THR . 4.3 mm? -59.73 -57.49 12.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.038 0.447 . . . . 0.0 110.803 -179.257 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.702 ' O ' ' HB3' ' A' 1543 ' ' TYR . 8.9 m-20 -136.04 155.95 49.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.12 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.798 ' HB ' HD21 ' A' 1563 ' ' LEU . 9.4 tp -133.5 119.8 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.749 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.622 ' H ' ' HB2' ' A' 1543 ' ' TYR . 22.3 m-85 -81.21 -67.3 0.79 Allowed 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.791 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' 1541 ' ' TYR . 6.9 tmtm? -96.41 106.31 18.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.759 178.238 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . 0.512 HG23 ' O ' ' A' 1574 ' ' ALA . 36.1 m -48.84 137.2 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.851 -179.025 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.761 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -81.88 120.65 5.2 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.106 179.585 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.17 -22.9 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -95.01 45.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.406 179.37 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 71.5 t 62.21 94.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.204 -179.599 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.761 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -149.44 122.87 9.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.846 179.75 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' 1563 ' ' LEU . 14.0 mm-40 -147.19 149.27 32.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -42.26 127.27 3.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.996 179.63 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' 1563 ' ' LEU . 16.8 t70 61.09 74.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.59 -179.64 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . . . . . . . . . 28.7 t -137.39 -168.09 2.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.651 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -112.2 128.74 56.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.501 HD12 ' HZ ' ' A' 1582 ' ' PHE . 9.8 pt -141.65 146.45 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.367 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 87.2 m -133.51 140.03 46.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.554 ' HB3' HD21 ' A' 1621 ' ' LEU . 4.4 m-85 -122.93 146.11 47.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.662 HG22 ' HG3' ' A' 1558 ' ' LYS . 46.9 pt -127.82 148.92 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.177 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.77 ' HB3' HD12 ' A' 1621 ' ' LEU . 54.3 pttt -147.42 -167.23 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.6 mptp? -112.63 -176.05 2.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.777 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 26.6 m -90.7 -1.61 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.028 179.762 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.6 p -95.0 -32.48 13.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' 1514 ' ' CYS . 71.2 m -70.25 83.44 0.54 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 77.4 p -92.83 -12.21 31.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.406 ' O ' ' HG2' ' A' 1517 ' ' MET . 32.8 m-80 -76.19 -24.71 54.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.739 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -105.5 88.79 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -127.86 104.48 7.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.756 179.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' 1593 ' ' LEU . 4.5 mp -81.47 161.64 23.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.8 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 70.9 t -109.84 142.55 22.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.046 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -70.99 136.27 48.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.85 65.17 3.18 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.735 179.781 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.58 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 21.8 ttm180 -169.27 139.69 2.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -78.55 138.68 38.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.288 -179.671 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.531 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 63.3 m-85 -144.75 131.51 20.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.412 -179.754 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.616 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 0.3 OUTLIER -68.9 123.74 21.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.632 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' 1626 ' ' TRP . 29.3 mt -139.05 141.88 35.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.829 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.511 ' HB3' ' CG2' ' A' 1539 ' ' ILE . 22.3 mtm -130.34 89.95 2.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.089 178.413 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' 1541 ' ' TYR . . . -92.87 153.87 21.73 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.439 -178.485 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' A' 1537 ' ' PRO . 29.1 tptp -91.31 162.63 14.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 110.642 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.497 ' N ' ' HB2' ' A' 1540 ' ' ALA . 41.0 tt0 -52.09 132.4 32.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . -91.86 -170.24 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.288 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' 1607 ' ' LEU . 3.4 mm? -89.83 -166.36 1.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.198 -179.86 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.432 HG21 HD13 ' A' 1583 ' ' ILE . 46.8 mm 62.97 108.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.332 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -85.9 137.69 35.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.15 -176.15 3.09 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.575 2.183 . . . . 0.0 112.239 179.871 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.77 HD12 ' HB3' ' A' 1584 ' ' LYS . 86.1 mt -143.09 48.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -60.69 177.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' 1514 ' ' CYS . 56.6 p -78.32 8.8 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 -179.784 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.5 pp -106.07 5.43 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 179.703 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 91.6 m -86.94 114.34 23.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' 1601 ' ' ILE . 53.5 t-105 -71.75 130.41 41.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' 1515 ' ' GLY . 70.5 mt -136.16 137.22 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.616 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 9.0 tp10 -150.6 155.22 38.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.675 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.58 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 18.0 t80 -91.04 120.04 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -101.27 117.35 62.33 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.251 179.496 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.664 ' HG3' HD13 ' A' 1521 ' ' LEU . 72.5 Cg_exo -50.73 102.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.585 2.19 . . . . 0.0 112.434 -179.832 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -60.77 -25.72 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -108.95 144.49 36.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.547 HG22 ' HG ' ' A' 1643 ' ' LEU . 81.3 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.875 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.82 ' HA ' HD23 ' A' 1643 ' ' LEU . 35.8 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.036 0.446 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -135.96 -59.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.815 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.537 ' CB ' ' HB2' ' A' 1521 ' ' LEU . 55.2 t80 -65.36 -21.15 66.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.776 179.721 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.82 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.4 mm? -64.09 -16.63 62.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.03 5.45 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 179.616 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . 0.537 HD21 ' HG ' ' A' 1523 ' ' LEU . 40.9 m-80 -105.29 -6.98 19.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.719 179.683 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' 1646 ' ' LEU . 2.9 mm? -101.69 -22.93 14.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.3 -34.52 78.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.792 -179.836 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.6 -31.74 41.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.689 179.863 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.462 ' O ' HG22 ' A' 1653 ' ' ILE . 84.6 t80 -81.79 -7.91 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.684 179.858 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -87.78 -65.6 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.637 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.87 -6.1 11.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.693 -179.063 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.57 -75.01 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.697 0.284 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.721 HD13 ' HE2' ' A' 1531 ' ' LYS . 4.3 tp -53.52 -31.7 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.992 179.851 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 68.3 t80 -70.81 -53.37 15.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.193 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 37.0 tp -87.91 -69.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 -179.422 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.629 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -60.01 -74.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.262 -179.586 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 95.66 160.16 33.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.304 -179.714 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.038 -179.861 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . 0.41 ' HA ' ' ND2' ' A' 1590 ' ' ASN . 6.7 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.636 0.255 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 40.5 t -49.36 128.72 17.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.575 179.644 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 83.6 -46.38 3.64 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.895 -179.125 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.6 tt0 53.18 95.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 111.372 179.652 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . . . . . . . . . 24.4 ptm -103.46 149.59 24.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.802 179.839 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.28 176.07 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.04 -179.842 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.4 -175.29 0.79 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -97.85 -85.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 73.0 mt -102.36 102.28 12.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.102 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -147.93 113.5 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.772 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 52.5 mt -81.38 8.29 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.005 -179.689 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 68.7 p -74.06 -21.42 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.7 mt -95.63 129.44 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.1 m -92.29 -172.64 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -74.73 -58.39 3.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.253 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.846 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.5 mt-10 -65.64 -15.66 62.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.337 -179.88 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . . . . . . . . . 93.0 m -56.27 -42.18 77.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' 1530 ' ' ARG . 14.6 ptt180 -115.62 0.34 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.846 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 19.8 tptm -77.85 -30.57 51.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 -179.833 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' 1528 ' ' GLU . 9.2 mm100 -63.81 -10.07 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.946 0.403 . . . . 0.0 110.438 179.675 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.746 ' HA ' ' HG3' ' A' 1536 ' ' LYS . 28.0 m -95.59 -18.75 20.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.891 179.772 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.44 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -77.13 3.31 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.655 -179.773 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.1 t -141.38 16.19 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.276 -179.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.746 ' HB2' HD13 ' A' 1539 ' ' ILE . 97.7 mttt -69.45 154.62 94.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.783 179.769 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.31 -20.16 55.51 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.494 2.129 . . . . 0.0 112.291 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.872 ' HG3' HD12 ' A' 1539 ' ' ILE . 5.6 pt-20 -90.67 -44.9 9.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.879 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -62.74 111.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.677 179.615 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.88 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.354 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.517 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.9 p90 -117.39 160.08 21.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.19 0.519 . . . . 0.0 111.813 -179.329 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.672 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.23 100.15 3.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.989 179.477 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.65 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.0 OUTLIER -151.78 178.46 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 0.0 111.724 -179.095 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.527 ' HE2' ' HB2' ' A' 1565 ' ' ASP . 65.1 pttt -115.54 138.88 50.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.568 179.743 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.863 HG12 ' HA ' ' A' 1563 ' ' LEU . 10.1 m -136.45 -178.29 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.399 -179.539 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.456 ' CB ' HD11 ' A' 1564 ' ' LEU . 10.5 t -148.43 130.32 15.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 179.76 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' 1561 ' ' ALA . 49.0 mm -66.25 139.49 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.834 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 56.1 p -129.95 -26.32 2.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.552 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.782 ' HA ' ' HE2' ' A' 1595 ' ' LYS . 72.4 m -151.72 155.35 38.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.331 -179.568 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.5 mt -132.92 120.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.3 m -109.98 140.64 43.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 -179.891 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.3 p -141.58 140.59 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -118.66 -77.04 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.201 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . 0.404 ' HA ' HD22 ' A' 1554 ' ' ASN . 1.7 t-20 -120.23 -75.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.031 -179.661 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' 1556 ' ' PHE . 5.7 m -111.35 -49.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.261 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . 0.419 ' N ' HG23 ' A' 1555 ' ' VAL . 96.3 m-85 -73.89 128.04 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.758 179.88 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' 1557 ' ' VAL . 5.2 p -107.85 117.1 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.281 -179.892 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.841 ' HG3' HG22 ' A' 1583 ' ' ILE . 4.0 mptp? -84.7 152.32 23.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.638 179.823 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' 1581 ' ' THR . 87.0 m-85 -131.81 113.03 13.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.24 -179.889 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -92.83 109.33 20.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.692 179.586 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.591 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -125.52 175.81 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.295 -179.851 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 5.0 m -120.35 134.86 55.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.019 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.863 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.0 tp -77.23 102.34 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.396 179.464 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.2 mp -57.12 -58.12 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.341 -179.022 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.618 ' O ' ' HB2' ' A' 1543 ' ' TYR . 7.1 m-20 -152.42 158.48 42.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.54 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.769 HG12 HD21 ' A' 1563 ' ' LEU . 54.5 mt -109.14 134.25 51.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.019 0.438 . . . . 0.0 111.799 -179.746 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.598 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 61.0 m-85 -113.37 -14.07 12.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.224 178.521 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.672 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 86.9 tttt -159.76 114.6 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.864 179.161 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 42.9 m -46.29 150.29 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 0.0 111.832 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.779 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -107.94 135.75 13.01 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.351 -179.837 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -63.02 -25.9 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.623 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . 0.511 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -89.7 42.53 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.337 179.436 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 84.5 t 56.56 89.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.322 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.779 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.85 131.94 53.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.414 179.359 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.638 ' HB3' ' HB3' ' A' 1578 ' ' SER . 35.4 tt0 -135.82 144.48 45.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.475 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -59.18 123.9 18.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.628 ' HA ' ' O ' ' A' 1563 ' ' LEU . 18.6 t70 64.95 34.17 9.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.093 0.473 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.638 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 66.9 p -84.07 -167.85 1.92 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.667 179.408 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -109.46 144.2 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.682 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.6 HD12 ' HE1' ' A' 1582 ' ' PHE . 31.2 pt -138.32 150.05 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.317 -179.876 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' 1559 ' ' TYR . 18.3 m -140.11 97.83 3.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.967 179.763 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.6 ' HE1' HD12 ' A' 1580 ' ' ILE . 60.7 m-85 -92.87 124.91 37.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.886 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.841 HG22 ' HG3' ' A' 1558 ' ' LYS . 42.2 pt -102.01 136.84 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.43 . . . . 0.0 111.062 179.913 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.675 ' HB2' HD23 ' A' 1621 ' ' LEU . 36.7 ttpt -125.54 155.29 40.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.847 -179.718 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.522 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 66.8 mttm -82.48 -178.04 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.613 179.666 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.5 p -95.67 -15.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.2 p -86.71 -23.41 25.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.314 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 30.1 m -59.22 108.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.016 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 63.7 m -99.67 -41.53 7.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' 1513 ' ' ASP . 2.7 m-20 -66.18 -18.53 65.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -91.38 106.98 18.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -129.44 124.42 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.4 mt -122.66 151.53 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.49 HG13 ' HB2' ' A' 1597 ' ' ARG . 9.2 p -136.64 143.85 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.782 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.1 ttmt -76.01 126.16 30.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 115.81 -38.54 3.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.716 179.749 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.49 ' HB2' HG13 ' A' 1594 ' ' VAL . 0.0 OUTLIER -79.03 170.41 16.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.937 0.398 . . . . 0.0 111.298 -179.763 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . 0.685 ' HB2' ' HB3' ' A' 1630 ' ' TRP . 26.3 mt-30 -113.92 149.93 34.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.693 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . 0.43 ' OH ' HG12 ' A' 1594 ' ' VAL . 98.0 m-85 -143.74 135.77 26.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 111.395 -179.892 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 51.0 tp -84.48 128.71 34.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.275 179.369 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.479 HG22 ' HE1' ' A' 1541 ' ' TYR . 41.6 mm -116.18 124.41 72.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.942 0.401 . . . . 0.0 111.64 -179.382 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . . . . . . . . . 73.4 mtp -144.68 115.42 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.321 179.758 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.879 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 173.02 -164.65 36.7 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.541 -179.865 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' 1605 ' ' GLU . 3.9 tppp? -54.03 163.78 0.72 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.919 0.39 . . . . 0.0 111.274 -179.549 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' 1604 ' ' LYS . 12.1 pt-20 -71.43 -170.4 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . 0.513 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -102.96 175.64 5.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.351 -179.872 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' 1607 ' ' LEU . 6.8 mp -93.26 -165.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.639 179.774 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' 1617 ' ' TYR . 8.6 tt0 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.262 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.424 ' HA ' ' HA ' ' A' 1608 ' ' GLN . 40.0 m-85 . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' 1618 ' ' ILE . 23.8 pt 36.89 99.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.291 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 47.7 m-85 -55.16 138.85 65.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.047 -179.81 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' 1606 ' ' ALA . 62.1 Cg_endo -72.68 -172.64 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.519 2.146 . . . . 0.0 112.019 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.691 HD11 HD11 ' A' 1627 ' ' ILE . 31.7 tp -166.15 97.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . 0.621 ' HB2' HD12 ' A' 1624 ' ' LEU . 9.9 m-20 -135.22 -167.78 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 -179.901 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 75.9 p -67.53 -32.87 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.723 -179.383 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.621 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -71.3 -7.5 47.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 111.048 -179.574 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . 0.596 ' N ' HD13 ' A' 1624 ' ' LEU . 62.7 m -87.28 104.2 16.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.991 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -65.4 111.1 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.691 HD11 HD11 ' A' 1621 ' ' LEU . 67.9 mt -114.75 129.1 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.696 179.747 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . 0.717 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.3 tt0 -131.52 157.3 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.111 -179.831 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -97.53 128.29 44.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.685 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 3.3 t-105 -105.08 103.74 43.33 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.87 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.501 ' HB2' HD11 ' A' 1643 ' ' LEU . 51.8 Cg_exo -54.51 108.11 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.592 2.195 . . . . 0.0 112.323 -179.84 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -75.42 -25.45 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.765 179.827 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.23 128.75 36.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.774 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.434 HG22 ' HG ' ' A' 1643 ' ' LEU . 77.8 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.454 ' HA ' HD23 ' A' 1643 ' ' LEU . 48.7 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.817 0.341 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.43 75.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 69.3 t80 -78.26 -42.14 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.544 ' H ' HD22 ' A' 1643 ' ' LEU . 2.8 mm? -65.35 -13.94 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -78.43 -32.06 48.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.855 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -70.35 -28.57 65.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.755 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.427 HD23 ' CZ3' ' A' 1630 ' ' TRP . 8.9 mp -79.06 -17.93 54.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.77 -46.67 81.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 179.853 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' 1652 ' ' ASP . 10.3 tp10 -69.73 -40.82 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.67 179.768 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.476 ' O ' HG22 ' A' 1653 ' ' ILE . 89.4 t80 -61.03 -24.27 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.062 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -76.16 -55.31 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.567 -179.687 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -75.04 -4.88 41.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.408 -179.15 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.709 ' HA ' HD22 ' A' 1656 ' ' ASN . 14.0 t70 -85.72 -62.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.734 HD13 ' HE3' ' A' 1531 ' ' LYS . 6.8 tp -60.86 -25.44 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.975 0.416 . . . . 0.0 110.909 179.775 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 66.5 t80 -78.14 -49.77 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.218 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.4 tt -90.35 -69.29 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 -179.415 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.709 HD22 ' HA ' ' A' 1652 ' ' ASP . 24.9 m-80 -58.1 -18.58 25.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.555 -179.58 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' 1653 ' ' ILE . . . 71.77 -123.22 9.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.31 -179.811 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.935 179.807 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.622 0.249 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 42.2 t 50.57 35.14 10.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.376 0.607 . . . . 0.0 110.706 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.779 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 160.52 -48.09 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.103 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' 1515 ' ' GLY . 25.9 mt-30 74.32 -48.28 0.65 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.856 0.463 . . . . 0.0 111.863 179.565 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.519 ' HG2' ' HA ' ' A' 1591 ' ' ALA . 24.9 mmt 54.21 -172.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 111.08 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -143.46 148.53 36.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.785 179.851 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.69 170.07 11.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.45 120.99 21.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 70.3 mt 57.12 94.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.069 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -121.2 99.88 6.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.82 89.93 8.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.392 -179.425 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . 0.409 ' H ' ' H ' ' A' 1525 ' ' ILE . 7.7 t -179.86 -13.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.772 179.64 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . 0.507 HG23 HG21 ' A' 1529 ' ' THR . 80.6 mt -95.75 137.7 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . . . . . . . . . 79.6 p -84.84 -177.45 6.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' 1531 ' ' LYS . . . -101.06 -13.15 18.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -93.81 -6.15 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . 0.507 HG21 HG23 ' A' 1525 ' ' ILE . 10.1 t -70.98 -31.36 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.437 HH21 HD23 ' A' 1646 ' ' LEU . 15.4 ptt-85 -110.88 -22.21 11.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.135 -179.564 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.603 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 13.1 tmtt? -59.56 -50.53 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' 1536 ' ' LYS . 11.6 pt20 -64.83 -16.28 62.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.189 179.442 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.46 HG23 ' NZ ' ' A' 1536 ' ' LYS . 90.7 m -83.26 -26.92 30.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.71 179.578 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . 0.489 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -67.47 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.042 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.7 t -65.5 -10.1 31.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.803 ' HE3' ' HB3' ' A' 1538 ' ' GLU . 38.6 ttpt -59.66 137.32 89.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.831 179.833 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.41 -14.4 12.5 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.674 2.249 . . . . 0.0 112.798 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.803 ' HB3' ' HE3' ' A' 1536 ' ' LYS . 42.2 tt0 -79.95 -31.01 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.716 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.873 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -104.78 112.14 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.665 179.775 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.667 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -67.25 -70.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.551 -179.743 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.507 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.5 p90 -96.21 155.91 16.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.397 0.618 . . . . 0.0 111.898 -179.13 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.678 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.05 96.59 2.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.506 179.202 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.665 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.5 OUTLIER -150.91 176.45 11.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.532 . . . . 0.0 112.042 -178.795 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.469 ' HG2' HD12 ' A' 1564 ' ' LEU . 84.0 tttt -111.71 136.61 50.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.322 179.504 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' 1563 ' ' LEU . 17.7 m -129.65 -175.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.373 . . . . 0.0 111.351 -179.692 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.483 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.1 t -151.0 122.01 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.825 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . 0.652 HD11 HD13 ' A' 1593 ' ' LEU . 43.1 mm -58.09 136.72 21.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . 0.472 ' O ' ' HE2' ' A' 1595 ' ' LYS . 46.3 p -132.21 -18.3 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.345 -179.679 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 65.3 m -153.11 138.18 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.896 0.379 . . . . 0.0 111.37 -179.562 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.3 mt -131.31 111.41 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 57.2 m -107.36 137.46 45.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 11.8 p -129.07 141.1 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -120.36 -166.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -53.62 -58.43 7.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.506 ' O ' ' HB ' ' A' 1586 ' ' VAL . 32.4 t -118.24 -56.37 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -65.82 163.74 16.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 7.3 p -156.05 140.07 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 179.822 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.68 ' HG2' HG22 ' A' 1583 ' ' ILE . 91.1 mttt -125.18 154.84 40.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.951 0.405 . . . . 0.0 111.402 -179.462 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -133.17 102.62 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.564 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.403 ' HB2' ' HB2' ' A' 1549 ' ' SER . 60.2 mttp -87.87 132.75 34.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.778 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . 0.532 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -141.43 167.0 23.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.31 -179.718 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.5 m -108.24 125.52 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.016 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.829 ' HA ' HG12 ' A' 1545 ' ' VAL . 14.0 tp -65.64 112.11 3.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.225 179.314 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.61 ' H ' ' HA ' ' A' 1545 ' ' VAL . 81.9 mt -65.73 -59.48 3.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.204 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.633 ' O ' ' HB2' ' A' 1543 ' ' TYR . 8.6 m-20 -152.86 154.43 35.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.688 HG12 HD21 ' A' 1563 ' ' LEU . 54.9 mt -102.05 130.52 51.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.906 0.384 . . . . 0.0 111.88 -179.65 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.608 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 52.9 m-85 -106.31 -15.99 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.103 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.678 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 82.9 tttt -159.93 107.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.412 178.875 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 34.5 m -43.21 137.06 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.361 0.601 . . . . 0.0 112.274 -178.985 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.704 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -84.09 139.39 18.34 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.597 179.113 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . 0.667 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 28.4 mt-10 -53.2 -20.86 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.182 0.515 . . . . 0.0 110.087 179.761 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -90.33 -157.02 0.45 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.735 178.449 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' 1573 ' ' VAL . 11.7 p -82.9 42.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.232 0.539 . . . . 0.0 110.978 179.631 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . 0.704 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -67.52 114.68 6.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.774 179.662 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.542 ' HB2' ' OG ' ' A' 1578 ' ' SER . 23.1 mm-40 -134.02 144.71 48.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.474 ' NZ ' ' HB3' ' A' 1576 ' ' LYS . 6.0 ttpm? -52.07 121.66 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.68 -179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.616 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 65.7 60.14 0.72 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.732 -179.855 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.542 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 52.2 m -115.48 -175.86 2.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.718 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -105.48 133.74 49.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.716 179.772 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.616 HD12 ' HE2' ' A' 1582 ' ' PHE . 8.5 pt -139.38 140.36 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 -179.639 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 18.9 m -122.34 112.96 18.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.616 ' HE2' HD12 ' A' 1580 ' ' ILE . 89.7 m-85 -98.43 101.33 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.772 179.729 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.68 HG22 ' HG2' ' A' 1558 ' ' LYS . 36.1 pt -85.65 158.82 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.213 -179.801 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' 1585 ' ' LYS . 6.0 tmmm? -164.03 143.33 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.445 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' 1584 ' ' LYS . 46.0 mmtm -57.6 -89.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.061 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' A' 1555 ' ' VAL . 14.6 p 177.25 -15.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.6 p -68.12 -36.52 79.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.061 -179.727 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.3 m -60.64 95.19 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 61.0 m -92.01 -36.58 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.354 -179.749 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.43 -26.52 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.779 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -95.97 119.27 34.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -150.14 148.57 29.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.783 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . 0.652 HD13 HD11 ' A' 1547 ' ' ILE . 92.1 mt -128.38 145.3 51.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.655 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 57.6 t -105.2 141.54 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.1 tttm -77.67 133.06 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 94.75 -15.04 64.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.733 179.653 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.655 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 93.6 mtt180 -92.11 173.94 7.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.047 0.451 . . . . 0.0 111.481 -179.812 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -113.61 138.53 50.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -142.98 135.52 27.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.964 0.412 . . . . 0.0 111.43 -179.804 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.59 ' O ' ' HA ' ' A' 1627 ' ' ILE . 46.9 tp -83.53 134.26 34.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.881 179.06 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.487 HG12 HG12 ' A' 1627 ' ' ILE . 83.4 mt -131.17 131.9 63.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.091 0.472 . . . . 0.0 112.173 -179.072 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.508 ' HB3' HG21 ' A' 1539 ' ' ILE . 28.0 mtm -144.92 123.19 12.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.93 179.018 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.873 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.95 -170.91 41.56 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.049 -1.072 . . . . 0.0 113.336 -179.587 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.426 ' HG2' HD21 ' A' 1624 ' ' LEU . 37.6 mmtm -51.27 165.37 0.14 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.881 0.372 . . . . 0.0 111.387 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.5 pt-20 -71.02 -170.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.055 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -95.09 -178.65 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.25 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' 1617 ' ' TYR . 94.8 mt -103.21 -164.05 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.339 179.994 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.581 ' HA ' ' O ' ' A' 1607 ' ' LEU . 21.4 m-85 . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.887 0.375 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.486 HD12 HD13 ' A' 1583 ' ' ILE . 40.9 pt -123.0 163.94 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.602 179.16 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' 1582 ' ' PHE . 6.3 m-85 -116.54 129.44 25.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.129 -179.133 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.07 -177.69 3.66 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.645 2.23 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . . . . . . . . . 58.6 tp -153.65 111.45 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -161.75 -164.51 1.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.3 p -60.12 -39.52 86.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.219 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.541 HD11 ' HG2' ' A' 1538 ' ' GLU . 66.1 tp -59.71 -25.9 65.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.856 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 46.2 m -80.2 100.02 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.057 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . 0.438 ' O ' ' HA ' ' A' 1601 ' ' ILE . 69.4 t-105 -70.68 110.87 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' 1600 ' ' LEU . 67.5 mt -124.48 132.22 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.97 179.922 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -134.5 137.93 44.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.405 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 50.0 t80 -72.51 110.31 6.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.774 179.663 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -84.45 111.9 37.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.239 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.491 ' HB2' HD11 ' A' 1643 ' ' LEU . 83.1 Cg_exo -47.21 106.57 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.584 2.189 . . . . 0.0 112.454 -179.586 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -54.24 -33.15 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.022 179.847 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -106.41 157.38 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.886 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.4 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.277 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.957 0.408 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -90.3 -65.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 58.7 t80 -102.2 -13.64 17.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.727 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.886 ' HG ' HG22 ' A' 1634 ' ' THR . 2.5 mm? -67.63 -19.23 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.962 -179.798 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.95 99.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -76.1 -24.3 54.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.893 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.537 HD12 HD13 ' A' 1643 ' ' LEU . 97.2 mt -77.59 -27.63 51.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -67.77 -29.39 68.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.751 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.31 7.45 22.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.87 179.827 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.603 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 80.5 t80 -117.62 -40.63 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -69.37 -48.64 60.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -79.27 -4.86 52.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.222 -179.55 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.4 t70 -95.77 -25.1 16.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . . . . . . . . . 9.0 tp -96.68 -22.13 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 179.736 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 45.2 t80 -89.15 -46.95 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.39 -63.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.009 -179.343 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.656 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -70.12 -43.22 71.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.167 -179.594 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 62.55 -168.46 17.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 -179.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.7 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.907 179.926 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.663 0.268 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A 1514 ' ' CYS . . . . . 0.477 ' CB ' ' HA ' ' A' 1588 ' ' CYS . 7.4 t -48.78 103.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.267 179.67 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1515 ' ' GLY . . . . . 0.796 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 80.27 45.54 8.06 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.609 -178.911 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -45.23 123.78 4.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.532 -179.495 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1517 ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' 1515 ' ' GLY . 63.3 mtt -121.66 -169.56 1.89 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.803 179.578 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -123.98 158.26 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -71.61 177.66 3.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.081 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.59 -80.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 82.7 mt -101.71 108.48 20.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -128.02 97.61 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.41 91.67 8.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.227 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.4 t -177.48 -16.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.849 179.694 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 76.6 mt -94.81 127.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1526 ' ' SER . . . . . 0.488 ' HB2' ' OG1' ' A' 1529 ' ' THR . 36.7 m -87.41 163.46 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -62.53 -57.94 9.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1528 ' ' GLU . . . . . 0.574 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 6.1 pt-20 -58.62 -26.01 63.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.543 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1529 ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' A' 1526 ' ' SER . 85.1 m -58.15 -44.23 87.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.315 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1530 ' ' ARG . . . . . 0.436 ' NH2' HD23 ' A' 1646 ' ' LEU . 49.7 ptt85 -100.36 -14.15 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 -179.812 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1531 ' ' LYS . . . . . 0.574 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 1.2 tmtp? -68.25 -38.07 81.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.915 -179.798 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1532 ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.0 mt-30 -58.89 -18.79 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.951 0.405 . . . . 0.0 110.268 179.492 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.836 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 45.7 m -83.48 -28.86 28.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.578 179.619 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.98 73.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.014 179.737 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.8 t -87.85 2.02 52.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.584 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1536 ' ' LYS . . . . . 0.836 ' HE2' ' HA ' ' A' 1533 ' ' THR . 23.5 ttmm -57.81 138.82 82.66 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 179.91 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.38 -20.05 61.36 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.451 2.101 . . . . 0.0 112.143 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1538 ' ' GLU . . . . . 0.629 ' H ' ' HG2' ' A' 1536 ' ' LYS . 41.4 tt0 -85.53 -16.92 37.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.771 179.853 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1539 ' ' ILE . . . . . 0.751 HD12 ' HA2' ' A' 1603 ' ' GLY . 48.8 mm -112.19 118.44 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.891 179.874 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.465 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -77.92 -69.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.599 -179.774 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1541 ' ' TYR . . . . . 0.483 ' HB2' ' CE2' ' A' 1543 ' ' TYR . 7.2 p90 -96.48 151.64 19.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.372 0.606 . . . . 0.0 112.089 -178.842 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1542 ' ' ALA . . . . . 0.45 ' HB1' ' SD ' ' A' 1602 ' ' MET . . . -146.12 97.84 3.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.699 179.305 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1543 ' ' TYR . . . . . 0.815 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.2 p90 -154.03 174.29 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.135 0.493 . . . . 0.0 112.107 -178.735 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1544 ' ' LYS . . . . . 0.54 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 62.4 pttt -111.02 147.78 34.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.596 178.819 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1545 ' ' VAL . . . . . 0.84 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.4 m -137.64 -176.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.94 0.4 . . . . 0.0 111.662 -178.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1546 ' ' SER . . . . . 0.771 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.0 t -145.04 124.9 13.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.932 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 42.6 mm -69.48 138.5 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.79 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1548 ' ' THR . . . . . . . . . . . . . 66.3 p -128.81 -29.59 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.618 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.609 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 72.9 m -151.27 152.98 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 111.424 -179.521 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1550 ' ' ILE . . . . . 0.469 HG12 ' HD2' ' A' 1559 ' ' TYR . 76.5 mt -133.98 134.92 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1551 ' ' THR . . . . . . . . . . . . . 83.0 m -136.35 129.02 30.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.227 -179.866 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1552 ' ' VAL . . . . . 0.685 HG13 HG22 ' A' 1557 ' ' VAL . 93.7 t -101.58 124.22 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -116.67 95.73 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 13.7 m120 56.69 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.353 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.457 HG13 HG12 ' A' 1586 ' ' VAL . 88.7 t -107.11 -58.37 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.042 -179.851 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -69.09 119.24 13.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . 0.685 HG22 HG13 ' A' 1552 ' ' VAL . 59.8 t -95.28 114.97 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1558 ' ' LYS . . . . . 0.514 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.9 OUTLIER -86.64 160.31 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.918 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A 1559 ' ' TYR . . . . . 0.469 ' HD2' HG12 ' A' 1550 ' ' ILE . 97.2 m-85 -139.5 112.32 7.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1560 ' ' LYS . . . . . 0.609 ' HB2' ' HB2' ' A' 1549 ' ' SER . 75.7 mmtt -85.4 102.66 13.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.578 179.744 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -122.97 -177.35 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.187 -179.723 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.6 m -136.45 124.98 23.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1563 ' ' LEU . . . . . 0.84 ' HA ' HG12 ' A' 1545 ' ' VAL . 3.7 tt -59.94 136.26 57.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.561 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1564 ' ' LEU . . . . . 0.771 HD11 ' HB2' ' A' 1546 ' ' SER . 91.7 mt -96.16 -49.03 5.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.526 -179.091 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1565 ' ' ASP . . . . . 0.513 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 9.7 t70 -156.74 127.31 6.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1566 ' ' ILE . . . . . 0.815 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 2.7 pt -87.53 110.42 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.937 -179.686 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1567 ' ' TYR . . . . . 0.662 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 79.8 m-85 -85.2 -16.19 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.6 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1568 ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.9 tmtt? -157.94 87.61 0.94 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.823 178.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1569 ' ' THR . . . . . . . . . . . . . 97.8 m -36.34 136.11 0.34 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.418 -178.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1570 ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -71.34 -153.74 1.45 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.156 179.493 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -129.59 -19.45 3.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.87 0.367 . . . . 0.0 110.553 179.71 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -110.84 73.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.385 179.33 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 90.8 t 53.74 91.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.173 -179.506 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1574 ' ' ALA . . . . . . . . . . . . . . . -129.41 146.58 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . 0.861 ' HB2' ' HB3' ' A' 1578 ' ' SER . 13.8 mm-40 -156.04 159.57 39.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.802 -179.722 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.708 ' HB3' HG12 ' A' 1566 ' ' ILE . 0.0 OUTLIER -78.23 39.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.26 -179.737 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A 1577 ' ' ASP . . . . . 0.71 ' HA ' ' O ' ' A' 1563 ' ' LEU . 18.7 t70 165.41 16.7 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.567 -179.49 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1578 ' ' SER . . . . . 0.861 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 31.7 p -76.13 -170.45 1.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.044 0.45 . . . . 0.0 111.31 -179.754 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -97.85 147.99 23.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.572 179.885 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1580 ' ' ILE . . . . . 0.666 HD12 ' HE2' ' A' 1582 ' ' PHE . 20.5 pt -146.08 147.18 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.46 -179.616 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1581 ' ' THR . . . . . . . . . . . . . 15.4 m -136.41 100.4 4.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1582 ' ' PHE . . . . . 0.666 ' HE2' HD12 ' A' 1580 ' ' ILE . 90.6 m-85 -84.74 152.68 23.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.06 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1583 ' ' ILE . . . . . 0.812 HD13 HD12 ' A' 1618 ' ' ILE . 36.9 pt -135.32 136.79 50.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 179.563 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1584 ' ' LYS . . . . . 0.516 ' HB2' HD12 ' A' 1621 ' ' LEU . 37.3 ttpt -132.53 145.86 51.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.701 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1585 ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.7 mptp? -82.4 129.17 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 179.625 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . 0.457 HG12 HG13 ' A' 1555 ' ' VAL . 12.2 p -65.7 -8.43 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.7 p -86.74 -6.74 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.57 -179.767 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1588 ' ' CYS . . . . . 0.477 ' HA ' ' CB ' ' A' 1514 ' ' CYS . 34.0 m -72.77 -178.06 2.56 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.905 0.383 . . . . 0.0 111.051 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1589 ' ' THR . . . . . . . . . . . . . 48.9 m -154.62 -23.54 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 -179.841 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.18 9.03 38.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.07 -179.677 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1591 ' ' ALA . . . . . 0.796 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -122.69 114.56 20.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 111.191 179.851 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -139.78 140.47 36.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.728 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 88.6 mt -125.65 169.8 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1594 ' ' VAL . . . . . 0.787 HG11 ' HD2' ' A' 1597 ' ' ARG . 11.9 p -145.98 147.23 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -90.79 127.44 36.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.025 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 115.65 -24.23 10.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.771 179.796 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.787 ' HD2' HG11 ' A' 1594 ' ' VAL . 91.6 mtt180 -96.96 176.12 6.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 111.485 -179.857 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -116.83 150.08 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -142.94 144.91 32.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.495 -179.742 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1600 ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' 1627 ' ' ILE . 50.1 tp -93.65 120.98 34.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.208 179.3 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1601 ' ' ILE . . . . . 0.511 HD13 HG22 ' A' 1545 ' ' VAL . 3.1 mp -117.21 129.47 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 112.053 -179.164 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1602 ' ' MET . . . . . 0.45 ' SD ' ' HB1' ' A' 1542 ' ' ALA . 31.6 mtm -141.62 111.1 6.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.481 178.841 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1603 ' ' GLY . . . . . 0.751 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -159.71 -177.32 32.7 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 119.995 -1.098 . . . . 0.0 113.651 -178.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1604 ' ' LYS . . . . . 0.522 ' HG3' ' N ' ' A' 1605 ' ' GLU . 16.7 tppt? -62.07 163.52 7.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.688 0.28 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1605 ' ' GLU . . . . . 0.522 ' N ' ' HG3' ' A' 1604 ' ' LYS . 32.9 tt0 -48.02 150.77 1.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.248 179.9 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -68.27 177.33 2.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1607 ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' 1607 ' ' LEU . 7.1 mp -78.97 176.61 9.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.733 179.873 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1608 ' ' GLN . . . . . 0.663 ' HG2' ' HE1' ' A' 1617 ' ' TYR . 46.6 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.317 -179.721 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1617 ' ' TYR . . . . . 0.663 ' HE1' ' HG2' ' A' 1608 ' ' GLN . 29.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.852 0.358 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1618 ' ' ILE . . . . . 0.812 HD12 HD13 ' A' 1583 ' ' ILE . 25.0 pt -139.26 156.01 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.701 179.516 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -112.82 132.67 22.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.289 -179.297 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.86 176.95 8.75 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.63 2.22 . . . . 0.0 112.254 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1621 ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' 1582 ' ' PHE . 98.3 mt -145.2 23.31 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.35 -167.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.272 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.8 p -61.84 -44.33 97.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.247 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1624 ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' 1624 ' ' LEU . 3.0 tm? -56.53 -31.19 63.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1625 ' ' THR . . . . . . . . . . . . . 37.9 m -62.16 116.52 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.283 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -85.98 112.92 21.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.3 mt -126.63 130.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -138.53 114.59 10.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1629 ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 66.2 t80 -53.14 132.2 37.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.195 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1630 ' ' TRP . . . . . 0.422 ' CE2' HD13 ' A' 1646 ' ' LEU . 4.5 t-105 -99.39 105.62 34.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.229 179.488 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1631 ' ' PRO . . . . . 0.82 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 72.0 Cg_exo -48.41 105.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.56 2.174 . . . . 0.0 112.546 -179.75 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1632 ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' 1632 ' ' ARG . 6.8 tpm_? -68.79 -36.07 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -75.54 140.11 42.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1634 ' ' THR . . . . . 0.702 HG22 ' HG ' ' A' 1643 ' ' LEU . 65.6 p . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1640 ' ' GLN . . . . . 0.847 ' HB3' HD23 ' A' 1643 ' ' LEU . 7.8 tt0 . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 120.629 0.252 . . . . 0.0 111.388 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -98.43 -86.98 0.35 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.808 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1642 ' ' PHE . . . . . 0.82 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 32.0 t80 -65.18 -16.48 63.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.394 0.616 . . . . 0.0 109.488 179.117 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1643 ' ' LEU . . . . . 0.847 HD23 ' HB3' ' A' 1640 ' ' GLN . 2.8 mm? -62.63 -28.75 70.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -66.47 -25.25 66.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.635 179.516 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 6.7 m120 -87.49 -30.19 20.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.436 179.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1646 ' ' LEU . . . . . 0.593 HD12 HD13 ' A' 1643 ' ' LEU . 76.3 mt -75.47 -26.69 58.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.64 -29.49 67.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -82.96 2.16 36.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.796 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1649 ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' 1653 ' ' ILE . 89.3 t80 -112.14 -43.75 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.852 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -61.17 -16.33 43.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -179.769 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -114.1 -3.16 13.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.137 -179.534 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1652 ' ' ASP . . . . . 0.541 ' O ' ' HB2' ' A' 1656 ' ' ASN . 19.0 t70 -102.24 -20.91 14.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.251 -179.891 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1653 ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' 1649 ' ' PHE . 9.7 tp -107.09 -25.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 47.4 t80 -85.27 -48.88 8.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1655 ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' 1655 ' ' LEU . 5.4 tt -72.44 -45.07 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.637 -179.378 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A 1656 ' ' ASN . . . . . 0.662 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -80.27 -75.62 0.26 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.193 -179.538 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 130.33 -56.46 0.74 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A 1658 ' ' CYS . . . . . 0.403 ' OXT' ' HE2' ' A' 1531 ' ' LYS . 43.7 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 79.0 p -95.05 113.94 25.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.2 m80 -117.44 144.44 45.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.0 tpt -130.76 133.83 46.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.752 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -154.29 139.7 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.511 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 9.5 m-20 -68.93 -18.26 64.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.347 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' 1516 ' ' GLN . 12.4 p 39.88 -145.33 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' 1591 ' ' ALA . . . -63.86 77.03 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.447 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' 1514 ' ' CYS . 20.6 pt20 -42.48 137.14 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.283 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 25.7 mmt -113.46 172.01 7.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.014 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -117.55 173.53 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.825 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -64.49 154.37 36.12 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.99 -41.85 25.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.2 mt -145.85 111.03 5.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 10.7 t70 -154.86 121.78 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.755 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.513 HD21 ' HB1' ' A' 1641 ' ' ALA . 93.4 mt -77.02 99.69 5.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . 0.488 HG23 HG13 ' A' 1525 ' ' ILE . 8.9 t -175.39 -28.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.529 ' HB ' ' HE1' ' A' 1642 ' ' PHE . 60.4 mt -89.83 108.41 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.1 m -85.62 178.05 7.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.03 68.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.55 -23.34 56.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 49.6 m -66.87 -28.36 68.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.98 0.419 . . . . 0.0 110.759 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.551 HH21 ' HG ' ' A' 1600 ' ' LEU . 46.0 mtp180 -95.7 12.47 29.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.693 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.818 ' HE2' HD13 ' A' 1653 ' ' ILE . 3.6 tppp? -119.72 -52.44 2.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.311 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -54.96 -20.75 9.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.063 0.459 . . . . 0.0 110.204 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.617 ' O ' HG13 ' A' 1539 ' ' ILE . 35.3 m -104.72 -19.96 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.517 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' 1530 ' ' ARG . . . -70.19 -54.61 12.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . 0.423 ' HA ' ' HE2' ' A' 1568 ' ' LYS . 4.5 t -71.7 -2.17 16.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.731 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 39.6 ttpt -58.64 138.77 86.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.84 -40.09 81.74 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.73 2.287 . . . . 0.0 112.813 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.731 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 0.4 OUTLIER -59.36 -19.55 47.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.072 0.463 . . . . 0.0 110.607 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' 1533 ' ' THR . 17.9 mm -102.18 120.55 52.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.206 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -93.29 -30.37 15.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.742 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.597 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.6 p90 -139.43 158.62 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.144 0.497 . . . . 0.0 111.864 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.461 ' HB1' ' SD ' ' A' 1602 ' ' MET . . . -149.53 89.33 1.62 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.253 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.698 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 16.5 p90 -138.81 164.16 30.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.625 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.563 ' NZ ' ' HB3' ' A' 1544 ' ' LYS . 0.0 OUTLIER -111.31 130.73 55.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.149 179.546 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.2 m -125.67 -178.92 2.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.661 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 16.4 t -142.07 140.73 32.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.73 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' 1561 ' ' ALA . 45.2 mm -78.33 137.38 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . 0.451 ' O ' ' HE3' ' A' 1595 ' ' LYS . 5.2 t -134.51 -17.0 2.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.277 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.765 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 57.8 m -156.71 146.14 20.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 60.8 mt -135.81 138.01 48.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . 0.55 ' O ' ' HB ' ' A' 1557 ' ' VAL . 64.0 m -115.69 136.67 52.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.894 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 41.0 t -134.2 125.2 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' 1556 ' ' PHE . 43.9 mt-10 -116.24 -161.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . 0.587 HD22 ' N ' ' A' 1554 ' ' ASN . 0.8 OUTLIER -53.98 -53.1 57.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.195 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' 1556 ' ' PHE . 6.9 m -132.67 -51.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.42 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.493 ' O ' ' HB2' ' A' 1553 ' ' GLU . 52.0 m-85 -82.21 131.46 35.23 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.008 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' A' 1551 ' ' THR . 8.0 m -125.98 160.78 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.677 ' HG2' HG22 ' A' 1583 ' ' ILE . 86.9 mttt -126.76 170.99 11.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.794 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' 1581 ' ' THR . 96.6 m-85 -140.7 112.92 7.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.765 ' HB2' ' HB2' ' A' 1549 ' ' SER . 75.8 mmtt -92.08 107.92 19.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.45 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.508 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.32 152.48 50.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.404 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -102.6 141.06 36.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.091 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.861 ' HA ' HG12 ' A' 1545 ' ' VAL . 7.3 tt -77.38 135.4 38.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.4 mp -92.92 -48.36 6.57 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.008 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.8 t70 -160.37 145.12 14.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.916 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.698 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 59.8 mt -108.7 126.05 65.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.942 0.401 . . . . 0.0 111.887 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' 1542 ' ' ALA . 77.9 m-85 -99.32 -25.0 14.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.43 ' HB2' ' N ' ' A' 1542 ' ' ALA . 28.9 mtpp -140.33 113.36 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.649 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 45.6 m -46.56 141.08 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.607 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.776 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.58 131.36 10.56 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.646 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.692 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 41.8 mt-10 -60.68 -26.73 67.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.416 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.578 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -90.54 67.23 6.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.511 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' 1573 ' ' VAL . 7.2 p 38.19 80.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.058 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.776 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.46 128.73 56.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.496 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.413 ' CG ' ' HB3' ' A' 1578 ' ' SER . 12.5 pt-20 -143.4 160.14 41.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.972 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 24.1 tptm -53.66 110.58 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.744 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.685 ' HA ' ' O ' ' A' 1563 ' ' LEU . 14.5 t70 61.08 80.98 0.2 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.113 0.482 . . . . 0.0 110.789 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.555 ' H ' ' HB3' ' A' 1563 ' ' LEU . 49.8 p -114.84 -166.68 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.11 102.2 8.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.494 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.726 HD12 ' HE1' ' A' 1582 ' ' PHE . 24.2 pt -108.84 148.4 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.362 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' 1559 ' ' TYR . 59.9 m -136.39 118.37 15.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.726 ' HE1' HD12 ' A' 1580 ' ' ILE . 59.8 m-85 -99.69 128.35 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.677 HG22 ' HG2' ' A' 1558 ' ' LYS . 16.1 pt -121.52 149.8 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.18 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.54 ' HB3' HD23 ' A' 1621 ' ' LEU . 0.0 OUTLIER -170.08 177.61 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.715 179.268 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' 1584 ' ' LYS . 95.1 mttt -89.17 158.14 18.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.008 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.5 p -75.17 -3.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.002 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.5 p -73.64 0.62 12.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.323 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.647 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 42.7 t -76.34 112.07 12.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . 0.4 ' O ' HG22 ' A' 1589 ' ' THR . 5.0 m -115.24 34.04 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.511 ' OD1' ' HA ' ' A' 1513 ' ' ASP . 15.2 m120 -145.11 -11.02 0.56 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.473 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.647 ' HB3' ' SG ' ' A' 1588 ' ' CYS . . . -127.61 130.22 48.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.347 . . . . 0.0 111.496 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -147.73 103.91 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.67 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.7 mt -82.43 151.44 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 46.3 t -116.13 141.16 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.451 ' HE3' ' O ' ' A' 1548 ' ' THR . 87.3 tttt -79.48 106.35 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.966 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 124.75 -17.07 7.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.724 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -92.31 175.03 7.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.028 0.442 . . . . 0.0 111.308 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -116.27 148.64 40.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.628 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -142.36 140.59 32.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 111.378 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.645 HD11 ' HG3' ' A' 1602 ' ' MET . 3.2 tm? -91.72 142.18 27.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.878 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.564 ' H ' HD22 ' A' 1600 ' ' LEU . 87.1 mt -138.6 130.11 36.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.645 ' HG3' HD11 ' A' 1600 ' ' LEU . 17.5 mtm -144.06 104.58 4.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.7 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.579 ' N ' HG23 ' A' 1539 ' ' ILE . . . -167.62 179.59 40.95 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.335 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.48 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.6 tppp? -59.41 162.8 4.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.692 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 13.0 pt-20 -62.28 179.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.578 ' H ' ' HB2' ' A' 1572 ' ' ALA . . . -106.7 158.83 16.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.203 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' 1607 ' ' LEU . 3.8 pp -65.03 147.71 52.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.425 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.537 HE21 ' HE2' ' A' 1617 ' ' TYR . 94.9 mt-30 -117.6 134.8 54.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.175 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.761 HG12 ' HB3' ' A' 1615 ' ' PHE . 0.2 OUTLIER -141.88 -14.11 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.959 179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.836 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 62.6 tttm -38.67 124.67 1.36 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.358 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . 0.546 ' HD2' HD22 ' A' 1612 ' ' ASN . 66.9 t80 -133.6 -34.76 1.02 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . 0.546 HD22 ' HD2' ' A' 1611 ' ' TYR . 7.4 p30 -151.81 -53.01 0.12 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -170.52 -37.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.17 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 50.1 m -67.73 -9.11 41.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.073 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.761 ' HB3' HG12 ' A' 1609 ' ' ILE . 89.8 m-85 -126.98 173.26 9.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.631 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.836 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 69.0 ttt180 -175.65 -108.18 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.725 0.298 . . . . 0.0 111.217 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.711 ' HD1' ' HG2' ' A' 1616 ' ' ARG . 76.1 m-85 -134.71 -52.22 0.8 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.678 HD11 HD11 ' A' 1609 ' ' ILE . 0.1 OUTLIER 32.74 94.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.188 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.494 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 59.6 m-85 -49.33 139.63 13.87 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.48 -19.18 17.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.452 2.101 . . . . 0.0 112.38 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' 1584 ' ' LYS . 51.5 tp 54.96 92.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.979 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -121.94 -174.86 2.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 56.9 p -73.78 -28.2 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.478 HD12 ' C ' ' A' 1624 ' ' LEU . 3.8 pp -62.16 -33.09 73.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.36 . . . . 0.0 110.645 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.5 ' O ' HG13 ' A' 1627 ' ' ILE . 47.4 m -59.35 93.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.192 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' A' 1601 ' ' ILE . 63.7 t-105 -59.18 103.85 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.759 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.552 ' HA ' ' O ' ' A' 1600 ' ' LEU . 72.9 mt -119.17 132.52 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.21 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -139.38 117.43 11.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 20.5 t80 -56.44 121.89 10.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.448 ' CH2' ' HB3' ' A' 1646 ' ' LEU . 2.1 t-105 -99.6 107.43 45.63 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.239 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.484 ' HB2' HD11 ' A' 1643 ' ' LEU . 89.2 Cg_exo -46.8 104.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.502 2.135 . . . . 0.0 112.415 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -53.49 -31.81 47.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -110.1 154.67 22.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.696 HG22 HD13 ' A' 1643 ' ' LEU . 81.8 p -115.28 -19.47 10.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 73.3 p -127.86 67.56 1.33 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 95.6 m -145.63 -32.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.792 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 80.4 p -92.24 -0.73 57.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 35.0 t 59.15 17.41 5.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 52.1 t -103.72 -73.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.068 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 64.2 tt0 49.11 80.78 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . 0.513 ' HB1' HD21 ' A' 1523 ' ' LEU . . . -143.63 -48.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.899 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.529 ' HE1' ' HB ' ' A' 1525 ' ' ILE . 68.6 t80 -72.05 -18.3 61.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.517 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.696 HD13 HG22 ' A' 1634 ' ' THR . 86.3 mt -83.86 4.21 30.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -89.67 -35.98 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.049 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -82.83 -24.53 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.525 HD12 HD23 ' A' 1643 ' ' LEU . 86.9 mt -71.47 -33.09 69.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.75 -31.25 71.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -70.85 -39.86 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.579 ' HE1' ' HE3' ' A' 1531 ' ' LYS . 90.9 t80 -69.88 -27.15 64.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -54.89 -54.92 36.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.419 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -86.64 -4.01 59.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.161 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.688 ' HA ' HD22 ' A' 1656 ' ' ASN . 23.6 t70 -78.62 -68.94 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.957 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.818 HD13 ' HE2' ' A' 1531 ' ' LYS . 4.8 tp -56.61 -32.52 37.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.938 0.399 . . . . 0.0 110.974 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.89 -49.75 64.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -91.92 -71.54 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.991 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.688 HD22 ' HA ' ' A' 1652 ' ' ASP . 25.2 m-80 -54.27 -74.76 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.599 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 70.88 157.52 2.37 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.232 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.157 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 48.2 t 59.15 99.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.881 0.372 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -115.38 3.05 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.1 ptt? -92.28 141.63 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -169.86 -77.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -138.84 -73.38 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.546 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.512 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 16.0 t 51.23 95.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.65 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 74.69 43.96 27.31 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.676 -0.774 . . . . 0.0 111.741 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.7 135.23 19.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.908 0.385 . . . . 0.0 111.199 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' 1515 ' ' GLY . 85.7 mtp -129.1 167.23 17.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -91.14 169.72 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.16 172.16 6.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -110.1 113.75 26.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 84.1 mt 59.49 97.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.484 ' O ' HG22 ' A' 1524 ' ' THR . 8.4 t70 -160.73 89.16 0.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.586 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.889 ' H ' HD22 ' A' 1523 ' ' LEU . 0.5 OUTLIER -56.36 101.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . 0.484 HG22 ' O ' ' A' 1522 ' ' ASP . 10.5 t -173.44 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.944 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 9.8 mm -60.5 150.74 6.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . 0.475 ' HB2' ' OG1' ' A' 1529 ' ' THR . 54.6 m -118.52 140.04 50.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.0 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' 1532 ' ' GLN . 15.2 mm-40 -84.36 -35.5 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' 1526 ' ' SER . 78.7 m -57.98 -34.57 70.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.611 HH12 HD23 ' A' 1646 ' ' LEU . 67.7 mtt180 -76.25 -34.22 59.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.737 ' HE2' HD13 ' A' 1653 ' ' ILE . 2.8 tppp? -72.78 -29.21 63.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.166 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.3 mm-40 -61.81 -16.47 50.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.982 0.42 . . . . 0.0 110.362 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.825 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 28.7 m -116.85 -19.29 9.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.617 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' 1531 ' ' LYS . . . -78.81 -25.07 44.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.203 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.8 t -85.43 -14.62 45.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.825 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.8 mtmt -79.28 149.61 72.81 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.9 -11.51 15.35 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.727 2.285 . . . . 0.0 112.418 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.435 ' C ' HD12 ' A' 1539 ' ' ILE . 40.2 tt0 -61.1 -34.43 74.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.769 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.939 HG21 ' HG2' ' A' 1602 ' ' MET . 2.6 mp -112.76 130.15 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.11 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.826 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -95.13 -58.45 2.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.27 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.573 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.2 p90 -105.53 157.28 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.276 0.56 . . . . 0.0 111.922 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.53 94.88 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.214 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.785 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 24.1 p90 -144.99 165.86 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.165 0.507 . . . . 0.0 111.873 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.505 ' HD2' HD12 ' A' 1564 ' ' LEU . 18.4 ttmt -105.19 141.27 37.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.914 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.776 HG11 HD11 ' A' 1580 ' ' ILE . 17.9 m -131.14 179.79 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.998 0.427 . . . . 0.0 111.631 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' 1564 ' ' LEU . 59.9 p -140.06 115.74 10.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.038 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.733 HD13 ' HB2' ' A' 1561 ' ' ALA . 45.9 mm -59.25 139.01 19.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.596 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 76.9 p -138.76 2.13 2.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.89 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 47.4 t -173.18 160.46 4.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.992 0.425 . . . . 0.0 111.572 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.411 HG23 ' CD1' ' A' 1559 ' ' TYR . 81.1 mt -140.3 111.63 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.622 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 56.5 m -114.23 139.57 49.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.248 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.5 p -140.84 135.83 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -100.1 -75.92 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -145.11 -51.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 88.6 t -124.26 -54.39 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.68 100.87 8.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' 1584 ' ' LYS . 13.7 p -81.35 148.04 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.717 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -134.99 112.4 10.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.433 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 70.5 m-85 -94.27 138.63 32.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.964 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.89 ' HB3' ' HB3' ' A' 1549 ' ' SER . 4.7 tppp? -99.28 128.34 45.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.5 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -145.7 138.37 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 111.6 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.3 m -91.71 125.19 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.831 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.773 ' HA ' HG12 ' A' 1545 ' ' VAL . 7.4 tt -59.86 130.27 45.94 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' 1546 ' ' SER . 78.1 mt -88.37 -46.56 9.07 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.196 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.477 ' N ' HD23 ' A' 1563 ' ' LEU . 14.5 t70 -169.43 139.97 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.913 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.785 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 61.2 mt -97.27 121.92 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.762 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.499 ' OH ' ' HE3' ' A' 1544 ' ' LYS . 11.3 m-85 -96.61 -17.38 20.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.331 0.586 . . . . 0.0 109.464 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.495 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 63.0 tttp -150.05 102.13 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.714 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . 0.419 ' HA ' HG21 ' A' 1566 ' ' ILE . 24.3 m -41.68 135.55 2.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.068 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.668 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -84.4 139.75 18.41 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.661 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.826 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 29.6 mt-10 -52.42 -22.34 4.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.122 0.487 . . . . 0.0 110.058 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -86.44 -157.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.671 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' 1573 ' ' VAL . 12.4 p -84.15 42.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.254 0.549 . . . . 0.0 111.006 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.668 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -61.77 130.01 43.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' 1563 ' ' LEU . 39.1 tt0 -145.9 145.58 30.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.736 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.451 ' HA ' HD22 ' A' 1563 ' ' LEU . 39.9 ttpt -58.42 126.12 26.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.546 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.713 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.2 t70 64.53 38.49 7.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.458 ' H ' ' HB3' ' A' 1563 ' ' LEU . 29.7 t -87.79 -178.86 6.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . 0.402 ' N ' ' OG ' ' A' 1578 ' ' SER . 41.2 tt0 -107.63 121.51 44.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.512 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.776 HD11 HG11 ' A' 1545 ' ' VAL . 14.6 pt -136.57 149.93 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 111.732 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 53.5 m -128.17 112.74 14.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.547 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' 1619 ' ' TYR . 17.9 m-85 -81.22 104.56 11.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.273 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.657 HG23 ' HA ' ' A' 1620 ' ' PRO . 8.2 tt -88.49 123.4 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.716 ' HD3' HD23 ' A' 1621 ' ' LEU . 35.8 ttpt -129.44 168.06 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.775 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.67 ' HB3' HG22 ' A' 1587 ' ' THR . 3.5 mptp? -99.39 136.77 38.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.397 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 35.9 m -77.97 8.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.398 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . 0.67 HG22 ' HB3' ' A' 1585 ' ' LYS . 6.6 t -93.18 -5.58 49.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.363 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.512 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 83.1 m -65.22 174.87 1.86 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . 0.456 HG22 ' O ' ' A' 1589 ' ' THR . 6.0 m -148.51 11.34 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 6.8 t30 -135.07 -19.61 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.331 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -87.02 126.4 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.362 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -139.72 137.53 35.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.792 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.468 ' HB3' HH22 ' A' 1597 ' ' ARG . 98.9 mt -135.66 135.55 40.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.073 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 1.6 p -132.42 100.81 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.408 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 53.5 tttp -45.97 108.78 0.14 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.225 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 153.32 21.45 0.05 OUTLIER Glycine 0 C--N 1.332 0.356 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.081 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.535 ' N ' ' HD3' ' A' 1597 ' ' ARG . 0.3 OUTLIER -160.51 -178.57 6.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 111.113 179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -107.1 158.58 16.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.514 ' HE2' ' HE ' ' A' 1597 ' ' ARG . 2.3 m-85 -142.96 161.4 38.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.051 0.453 . . . . 0.0 111.595 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.903 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 3.3 tm? -117.1 129.05 55.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.772 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.623 HD13 HG22 ' A' 1545 ' ' VAL . 2.4 mp -118.02 132.59 67.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.997 0.427 . . . . 0.0 111.514 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.939 ' HG2' HG21 ' A' 1539 ' ' ILE . 24.8 ttp -150.14 110.65 4.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.108 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.862 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -174.65 -173.12 40.3 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 119.74 -1.219 . . . . 0.0 113.642 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.505 ' H ' HD11 ' A' 1624 ' ' LEU . 23.7 tptp -50.37 161.47 0.3 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.858 0.361 . . . . 0.0 111.372 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.452 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.1 pt-20 -59.95 178.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.464 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.512 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -77.78 -170.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.25 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' 1617 ' ' TYR . 94.6 mt -123.14 -168.28 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.996 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' 1616 ' ' ARG . 20.5 pt20 -172.48 85.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.151 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.843 HG23 ' HG3' ' A' 1610 ' ' LYS . 10.7 tp -62.42 -15.1 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.313 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.947 ' HB2' ' HA ' ' A' 1615 ' ' PHE . 29.2 mtpp -136.77 -177.65 4.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 20.4 p90 -147.42 -33.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -105.74 161.81 14.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.443 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 66.1 -76.27 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.3 t -156.52 94.62 1.49 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.848 0.356 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.947 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 2.3 p90 -69.26 158.66 34.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.572 ' HG3' HG23 ' A' 1618 ' ' ILE . 21.7 tpt180 -113.37 97.04 6.22 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.883 0.373 . . . . 0.0 111.016 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' 1607 ' ' LEU . 3.4 m-85 -87.62 27.24 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.455 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.572 HG23 ' HG3' ' A' 1616 ' ' ARG . 20.6 pt -54.83 155.61 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' 1582 ' ' PHE . 7.7 m-85 -110.54 113.64 55.67 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.013 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . 0.657 ' HA ' HG23 ' A' 1583 ' ' ILE . 32.6 Cg_endo -63.51 176.38 2.22 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.492 2.128 . . . . 0.0 112.179 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.716 HD23 ' HD3' ' A' 1584 ' ' LYS . 48.7 tp -143.71 106.71 4.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -142.52 -163.57 1.64 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 45.5 t -67.87 -41.4 82.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.435 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.505 HD11 ' H ' ' A' 1604 ' ' LYS . 0.1 OUTLIER -56.78 -33.14 66.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.806 0.336 . . . . 0.0 110.686 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 85.7 m -75.74 103.36 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.543 ' HB3' ' HB3' ' A' 1602 ' ' MET . 47.6 t-105 -59.9 119.99 8.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.4 mm -115.37 115.42 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.731 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.903 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 11.0 tp10 -121.6 110.49 16.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.247 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.495 ' CE2' ' HG3' ' A' 1597 ' ' ARG . 13.4 t80 -60.4 124.41 20.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.427 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.442 ' CH2' ' HB3' ' A' 1646 ' ' LEU . 7.3 t-105 -101.02 108.84 56.32 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.7 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.696 ' HB2' HD21 ' A' 1643 ' ' LEU . 46.5 Cg_exo -56.28 127.8 27.52 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.562 2.174 . . . . 0.0 112.33 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -94.77 -23.36 17.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.774 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 3.5 p30 -86.16 129.61 34.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.009 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.442 ' HA ' ' HB3' ' A' 1640 ' ' GLN . 68.7 p -142.48 12.64 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 82.6 p -85.7 -45.23 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.436 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.489 ' HB3' ' SG ' ' A' 1639 ' ' CYS . 53.8 t -60.96 152.72 26.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.036 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.4 t -71.17 -52.45 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 54.2 m -59.58 -27.45 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.489 ' SG ' ' HB3' ' A' 1636 ' ' CYS . 73.0 m -80.41 -155.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.748 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.921 ' HA ' HD23 ' A' 1643 ' ' LEU . 20.4 pt20 42.62 30.01 0.2 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.587 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -101.44 -23.3 14.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.495 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 56.2 t80 -92.81 -20.23 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.029 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.921 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -73.48 -12.61 60.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.96 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -82.27 -23.06 35.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -92.05 -10.78 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.745 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.611 HD23 HH12 ' A' 1530 ' ' ARG . 85.8 mt -93.52 -24.45 17.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.06 -25.05 61.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' 1652 ' ' ASP . 40.2 tt0 -76.18 -35.3 59.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' 1653 ' ' ILE . 88.8 t80 -85.72 -22.79 27.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.7 89.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.97 -33.0 17.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.749 ' HA ' HD21 ' A' 1656 ' ' ASN . 15.4 t70 -50.99 -73.47 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.414 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.737 HD13 ' HE2' ' A' 1531 ' ' LYS . 7.0 tp -57.34 -32.11 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.374 . . . . 0.0 111.329 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . 0.549 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 16.2 t80 -68.82 -30.86 69.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.436 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.549 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 93.8 mt -101.98 -75.05 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.44 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.749 HD21 ' HA ' ' A' 1652 ' ' ASP . 1.7 p30 -77.66 -59.61 2.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.525 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.707 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 68.26 105.35 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.546 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . 0.592 ' H ' ' HZ3' ' A' 1531 ' ' LYS . 34.7 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.154 -0.927 . . . . 0.0 111.223 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 54.4 m 58.66 -173.14 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.815 0.341 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 63.8 m80 -118.29 129.73 55.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 95.6 mmm -113.42 122.05 46.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -152.74 154.12 34.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.69 -65.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.524 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 50.4 t 58.98 104.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.749 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.76 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 97.26 -60.24 1.1 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.919 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 54.97 97.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.763 0.316 . . . . 0.0 111.389 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.593 ' HE2' HG21 ' A' 1627 ' ' ILE . 62.0 mtt -102.17 156.08 17.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' 1628 ' ' GLU . 11.5 pt20 -86.09 -175.29 5.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.482 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 47.1 mt-10 -69.82 -170.36 0.32 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.16 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -133.08 130.58 39.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.344 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 30.6 mt 59.74 17.14 6.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.698 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.679 ' HB3' HG22 ' A' 1524 ' ' THR . 1.6 m-20 -84.84 108.15 17.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.911 0.386 . . . . 0.0 110.696 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.544 HD23 ' HD1' ' A' 1642 ' ' PHE . 27.3 mt -75.33 5.24 5.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.967 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . 0.679 HG22 ' HB3' ' A' 1522 ' ' ASP . 6.7 t -60.71 -24.52 65.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.201 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 69.1 mt -89.87 130.87 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 46.2 t -91.05 167.37 12.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -70.75 -20.94 62.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.4 mt-10 -90.4 -40.09 12.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 59.9 m -58.88 -37.39 76.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.502 HH12 HD23 ' A' 1646 ' ' LEU . 42.1 ttm180 -72.41 -34.5 67.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.736 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.727 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 23.2 tptm -67.35 -27.21 66.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.1 mm-40 -57.43 -20.68 31.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.057 0.456 . . . . 0.0 110.463 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.691 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 89.7 m -90.71 -30.31 17.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.817 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.727 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -72.77 1.53 8.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.527 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . 0.442 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 19.2 t -123.79 7.61 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.691 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.7 mtmt -86.81 147.53 43.6 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.051 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.96 -30.01 89.09 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.699 2.266 . . . . 0.0 112.186 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' 1538 ' ' GLU . 0.3 OUTLIER -72.06 -12.27 61.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.521 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' 1603 ' ' GLY . 14.7 mm -115.43 115.22 48.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.152 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.433 ' O ' ' HE3' ' A' 1568 ' ' LYS . . . -92.02 -54.32 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.499 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.503 ' HE1' HG22 ' A' 1601 ' ' ILE . 2.7 p90 -112.21 162.93 14.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.317 0.58 . . . . 0.0 112.066 -178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -153.05 98.71 2.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.725 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.646 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.7 OUTLIER -142.83 -179.27 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.282 0.563 . . . . 0.0 112.45 -178.568 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.536 ' HG2' HD12 ' A' 1564 ' ' LEU . 30.2 ttpt -113.31 125.75 54.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.444 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.723 HG11 HD11 ' A' 1580 ' ' ILE . 19.2 m -118.15 -178.93 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.911 0.386 . . . . 0.0 111.656 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.515 ' HB3' HD11 ' A' 1564 ' ' LEU . 81.8 p -149.71 113.64 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.865 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.848 HD13 ' HB2' ' A' 1561 ' ' ALA . 48.5 mm -55.64 119.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.905 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 3.6 t -115.92 -20.42 9.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.466 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.577 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 39.5 t -147.28 153.55 39.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.009 0.433 . . . . 0.0 111.253 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' 1595 ' ' LYS . 83.9 mt -146.52 140.27 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . 0.693 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 78.3 m -141.76 127.48 19.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.002 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.601 ' HA ' HG13 ' A' 1557 ' ' VAL . 93.3 t -108.18 126.33 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' 1556 ' ' PHE . 13.4 mm-40 -106.46 -166.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.33 -72.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 97.0 t -97.76 -44.99 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.401 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' 1553 ' ' GLU . 80.4 m-85 -91.26 169.13 11.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.601 HG13 ' HA ' ' A' 1552 ' ' VAL . 21.3 t -137.53 122.74 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.693 ' HB2' ' HB ' ' A' 1551 ' ' THR . 72.4 mmtt -85.65 148.32 25.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.222 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.461 ' CE2' ' HE3' ' A' 1584 ' ' LYS . 67.1 m-85 -145.24 142.75 29.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.688 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.577 ' HB2' ' HB3' ' A' 1549 ' ' SER . 59.5 mttp -137.48 128.44 27.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.526 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.848 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -137.35 142.41 41.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.93 0.395 . . . . 0.0 111.66 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.0 m -84.51 124.39 31.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.993 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' 1543 ' ' TYR . 9.1 tp -66.78 97.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.55 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.536 ' H ' ' HA ' ' A' 1545 ' ' VAL . 93.7 mt -54.09 -48.34 70.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.455 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.569 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.9 t70 -166.44 162.05 16.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.542 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.646 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 45.8 mt -109.92 136.65 45.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.019 0.437 . . . . 0.0 111.94 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.433 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 21.7 m-85 -112.88 -17.01 12.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.2 178.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.65 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.6 tttp -154.31 112.18 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.696 179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 58.0 m -45.71 147.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.076 0.465 . . . . 0.0 112.029 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.78 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -104.73 133.85 11.74 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.326 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.53 -27.74 66.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.779 0.323 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.819 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.16 42.2 1.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.534 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 86.4 t 55.58 90.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.198 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.78 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -110.08 137.75 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.708 ' HG2' ' HB2' ' A' 1578 ' ' SER . 0.8 OUTLIER -144.66 146.58 32.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.496 179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.476 ' HG3' ' HA ' ' A' 1565 ' ' ASP . 29.1 ttpp -54.75 148.29 13.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.554 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.9 p30 47.08 40.6 9.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.524 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.708 ' HB2' ' HG2' ' A' 1575 ' ' GLU . 24.8 t -83.4 -166.63 1.42 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.703 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -131.14 111.38 11.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.508 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.723 HD11 HG11 ' A' 1545 ' ' VAL . 6.3 pt -122.68 144.5 31.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.999 0.428 . . . . 0.0 111.574 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . 0.456 HG23 ' O ' ' A' 1559 ' ' TYR . 86.4 m -123.1 123.93 41.95 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.357 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.511 ' HE1' HD12 ' A' 1580 ' ' ILE . 69.2 m-85 -112.63 146.77 38.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.572 HG22 ' HA ' ' A' 1558 ' ' LYS . 29.5 pt -139.73 150.49 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 111.145 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.736 ' HB3' HD23 ' A' 1621 ' ' LEU . 22.1 pttp -145.52 -173.95 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -98.56 -176.42 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.813 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.0 p -88.26 -25.4 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.114 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 73.9 p -70.32 -22.82 62.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.326 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.524 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.3 m -59.31 104.64 0.27 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.01 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 57.5 m -102.13 -31.7 10.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.585 HD22 ' N ' ' A' 1590 ' ' ASN . 0.8 OUTLIER -74.95 -19.52 60.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.76 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -108.66 109.37 20.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -142.58 108.06 5.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.729 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.0 mt -83.52 164.73 19.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.019 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.41 HG21 ' NH1' ' A' 1597 ' ' ARG . 85.7 t -132.46 133.18 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.627 ' HB2' HD12 ' A' 1550 ' ' ILE . 41.0 ttmt -62.74 136.4 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 61.1 68.68 1.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.518 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 39.6 ttm180 -162.59 152.55 16.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.582 ' HB2' ' HB3' ' A' 1630 ' ' TRP . 49.9 mt-30 -91.6 134.5 34.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.305 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.518 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 76.2 m-85 -138.5 144.93 40.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.055 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.76 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 59.8 tp -95.85 118.96 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.347 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.503 HG22 ' HE1' ' A' 1541 ' ' TYR . 80.1 mt -111.88 123.21 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.101 0.477 . . . . 0.0 111.783 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.722 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 79.8 mtp -137.04 107.58 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.105 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' 1539 ' ' ILE . . . -170.15 178.4 42.96 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.159 -1.019 . . . . 0.0 113.265 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.564 ' C ' ' HD3' ' A' 1604 ' ' LYS . 0.0 OUTLIER -58.96 166.26 2.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.568 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.819 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.3 pt-20 -66.0 -168.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.363 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.401 ' H ' ' HB2' ' A' 1572 ' ' ALA . . . -82.91 -171.31 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.902 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 22.5 tp -131.66 20.2 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.975 0.417 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 40.14 87.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' 1616 ' ' ARG . 7.6 tp -59.9 -48.21 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.396 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.701 ' HG2' ' H ' ' A' 1611 ' ' TYR . 37.7 tttm 49.45 -161.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.956 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . 0.701 ' H ' ' HG2' ' A' 1610 ' ' LYS . 48.2 t80 64.11 167.11 0.15 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.093 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 43.8 t30 66.35 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -116.13 -64.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 111.037 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 46.6 t -164.88 166.43 19.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.804 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.472 ' HA ' ' H ' ' A' 1610 ' ' LYS . 44.4 p90 -59.41 141.4 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.541 ' H ' HG22 ' A' 1609 ' ' ILE . 98.4 mtt180 -124.98 -8.8 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.3 m-85 57.37 22.49 7.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.103 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.401 HG12 ' HB ' ' A' 1609 ' ' ILE . 34.8 pt -57.68 139.13 17.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.712 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -97.2 136.21 21.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.142 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.95 -14.52 44.01 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.6 2.2 . . . . 0.0 112.498 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.736 HD23 ' HB3' ' A' 1584 ' ' LYS . 60.9 tp 51.08 89.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.478 ' HB2' ' HG ' ' A' 1624 ' ' LEU . 9.8 m-20 -117.62 -172.77 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' 1515 ' ' GLY . 78.3 p -66.0 -15.43 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' A' 1622 ' ' ASP . 1.4 pp -80.08 -4.09 51.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.978 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.4 m -88.67 105.72 17.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.722 ' HB3' ' HB2' ' A' 1602 ' ' MET . 45.4 t-105 -68.64 103.05 1.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.739 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.633 HD11 HD11 ' A' 1621 ' ' LEU . 66.9 mt -110.39 122.28 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.76 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 42.0 tt0 -122.64 147.82 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.54 ' O ' ' HD3' ' A' 1631 ' ' PRO . 20.0 t80 -84.35 124.7 31.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.453 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.582 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 5.0 t-105 -105.36 95.9 10.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.55 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.766 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.6 Cg_exo -55.66 113.81 1.59 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.707 2.271 . . . . 0.0 112.462 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -73.08 -30.51 63.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.787 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.11 129.99 40.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 77.6 p -139.37 -5.13 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 6.6 t -63.61 -29.11 70.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.324 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 81.1 m -100.57 135.1 42.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 55.0 m -80.28 -2.72 46.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 49.0 m -86.22 -4.42 59.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 81.9 m -137.5 -22.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.791 ' HA ' HD23 ' A' 1643 ' ' LEU . 28.8 tt0 -65.01 -20.38 66.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -56.1 -29.69 60.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.222 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.544 ' HD1' HD23 ' A' 1523 ' ' LEU . 68.7 t80 -75.78 -30.99 59.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.75 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -78.51 -6.35 55.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.72 -40.88 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.07 -1.27 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' 1643 ' ' LEU . 93.7 mt -95.14 -35.26 11.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.709 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.61 -34.82 78.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.774 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.69 -39.86 88.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.677 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.45 ' O ' HG22 ' A' 1653 ' ' ILE . 89.9 t80 -63.24 -28.61 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.907 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -56.1 -60.76 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -24.25 58.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 21.7 t70 -65.13 -6.77 9.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.269 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.461 HG13 ' HE3' ' A' 1531 ' ' LYS . 20.2 tt -133.03 -25.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.988 0.423 . . . . 0.0 110.899 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 9.8 t80 -75.02 -34.61 61.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.836 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' 1655 ' ' LEU . 4.8 tt -80.94 -48.82 11.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.933 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.539 ' H ' ' ND2' ' A' 1656 ' ' ASN . 0.7 OUTLIER -99.88 -68.06 0.82 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.721 -179.207 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.427 ' HA2' HG13 ' A' 1653 ' ' ILE . . . 71.55 100.97 0.06 OUTLIER Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.344 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 41.6 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.925 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 52.5 m -141.01 158.15 44.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -91.06 117.75 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.87 -176.19 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -146.32 162.57 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.063 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.786 ' HA ' HD22 ' A' 1590 ' ' ASN . 4.6 p-10 -90.88 25.6 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 29.0 t -50.4 107.63 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.9 0.381 . . . . 0.0 110.351 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.452 ' H ' ' HA ' ' A' 1623 ' ' SER . . . 80.97 40.9 11.02 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.744 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -41.64 103.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.32 -0.44 . . . . 0.0 111.229 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' 1515 ' ' GLY . 64.4 mtt -93.91 124.83 38.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.07 169.95 6.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -68.8 168.44 13.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.067 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -108.09 130.99 55.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 98.1 mt 55.72 87.9 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -148.17 102.56 3.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.832 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' 1642 ' ' PHE . 97.6 mt -70.69 97.42 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . 0.53 HG23 HG13 ' A' 1525 ' ' ILE . 6.8 t -167.44 -23.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.53 HG13 HG23 ' A' 1524 ' ' THR . 52.8 mt -97.79 105.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 83.0 p -63.6 164.48 9.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -70.86 -8.85 55.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.1 mt-10 -94.91 -31.37 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 69.2 m -62.52 -33.86 75.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' 1530 ' ' ARG . 61.0 mtt180 -83.61 -40.35 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.012 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . . . . . . . . . 63.9 tttm -59.57 -45.86 90.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' 1528 ' ' GLU . 79.9 mt-30 -58.14 -24.14 57.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.015 0.436 . . . . 0.0 110.186 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.79 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 60.5 m -86.24 -26.89 24.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.419 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.12 87.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.959 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 36.9 t -91.22 3.05 55.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.537 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.79 ' HE3' ' HA ' ' A' 1533 ' ' THR . 40.6 ttmt -58.26 140.92 83.09 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.758 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.51 -20.12 32.23 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.559 2.173 . . . . 0.0 112.227 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' A' 1536 ' ' LYS . 38.9 tt0 -85.11 -23.84 28.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.699 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.866 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -104.79 115.17 46.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.33 -47.18 18.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.865 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.7 p90 -125.46 155.77 39.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.158 0.504 . . . . 0.0 111.716 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.612 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -143.62 97.96 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.39 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.743 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.5 p90 -149.53 170.11 19.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.051 0.453 . . . . 0.0 111.798 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' 1564 ' ' LEU . 86.3 tttt -104.78 140.77 37.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.457 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.759 HG12 ' HA ' ' A' 1563 ' ' LEU . 24.3 m -137.05 -178.75 2.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.054 0.454 . . . . 0.0 111.628 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 21.0 t -149.28 127.19 11.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.622 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 44.9 mm -62.26 139.72 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . 0.464 ' O ' ' HE2' ' A' 1595 ' ' LYS . 68.2 p -131.04 -25.77 2.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.598 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.744 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 38.2 t -150.22 156.24 41.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 0.0 111.332 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 79.9 mt -141.65 111.85 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . 0.854 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 93.1 m -92.04 123.49 35.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 5.2 p -102.11 132.98 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . 0.618 ' HG3' ' H ' ' A' 1554 ' ' ASN . 7.3 tp10 -124.38 177.61 5.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.544 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . 0.618 ' H ' ' HG3' ' A' 1553 ' ' GLU . 5.5 p30 -49.53 -45.61 47.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.358 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.439 HG23 ' OD1' ' A' 1554 ' ' ASN . 54.8 t -129.92 -53.05 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 111.19 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -72.35 162.05 30.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.3 t -138.61 106.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.854 ' HB2' ' HB ' ' A' 1551 ' ' THR . 11.5 mptt -79.23 149.16 31.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.596 ' HE2' ' HB3' ' A' 1584 ' ' LYS . 86.2 m-85 -131.1 114.48 15.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.02 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.744 ' HB2' ' HB3' ' A' 1549 ' ' SER . 14.1 mmmm -99.92 109.64 22.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.369 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -125.08 157.9 35.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.0 0.429 . . . . 0.0 111.449 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.5 m -105.99 134.32 49.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.018 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.759 ' HA ' HG12 ' A' 1545 ' ' VAL . 5.9 tt -66.11 143.05 57.55 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.572 ' N ' HD23 ' A' 1563 ' ' LEU . 7.5 mp -101.4 -48.65 4.29 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.646 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.483 ' N ' HD23 ' A' 1563 ' ' LEU . 15.5 t70 -166.54 134.11 2.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.512 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.743 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 69.1 mt -91.56 128.25 43.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.095 0.474 . . . . 0.0 112.108 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.706 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 69.8 m-85 -109.12 -15.17 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.187 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.612 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 28.4 tptp -153.47 120.13 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.69 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . 0.487 HG22 ' H ' ' A' 1571 ' ' GLU . 4.0 m -48.61 157.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.048 0.451 . . . . 0.0 111.829 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.865 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -99.79 3.83 57.55 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.867 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' 1570 ' ' GLY . 44.4 mt-10 74.5 -43.84 0.54 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.474 0.31 . . . . 0.0 110.969 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -87.4 46.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 0.0 110.23 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 81.5 t 59.51 85.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.059 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.577 ' HB1' HD13 ' A' 1566 ' ' ILE . . . -90.62 139.82 30.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.428 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' 1578 ' ' SER . 40.9 mt-10 -131.28 142.46 50.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.805 0.336 . . . . 0.0 111.384 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 60.6 mttp -58.4 139.51 55.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.089 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.744 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.7 p30 46.55 34.48 2.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.339 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 57.2 p -68.14 -166.99 0.07 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.739 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -115.29 109.2 17.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.52 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.588 ' HB ' ' HE2' ' A' 1619 ' ' TYR . 37.6 pt -110.03 139.97 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.618 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 76.7 m -132.47 113.8 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.978 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.752 ' HB3' ' HB2' ' A' 1619 ' ' TYR . 1.7 p90 -123.5 131.86 53.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.916 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.754 HG22 ' HG3' ' A' 1558 ' ' LYS . 32.1 pt -100.04 163.06 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.24 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.841 ' HB2' HD23 ' A' 1621 ' ' LEU . 39.8 ttpt -153.5 140.79 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -79.44 158.03 27.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.8 p -72.86 -11.56 14.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 81.7 p -69.48 -34.86 74.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.8 m -60.12 111.77 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.697 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 87.1 m -97.94 -42.78 7.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.48 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.786 HD22 ' HA ' ' A' 1513 ' ' ASP . 89.7 m-20 -70.07 -3.84 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.231 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -108.55 119.17 38.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.073 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -141.4 109.02 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 91.5 mt -97.23 149.02 22.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.673 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 59.8 t -123.53 139.98 48.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.464 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.3 tttm -79.93 115.45 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 112.85 -8.45 25.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.773 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.673 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 84.8 mtt180 -92.51 176.1 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 111.41 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -122.41 132.54 54.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.816 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -134.26 148.24 50.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.015 0.436 . . . . 0.0 111.364 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' 1543 ' ' TYR . 58.3 tp -97.77 123.9 41.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.019 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.563 HG22 ' HE1' ' A' 1541 ' ' TYR . 63.0 mt -112.67 125.31 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.132 0.492 . . . . 0.0 111.918 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.405 ' O ' ' HB3' ' A' 1626 ' ' TRP . 77.0 mtp -142.61 107.39 4.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.2 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.866 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.54 -168.12 37.36 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.14 -1.029 . . . . 0.0 113.42 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.471 ' HE2' ' HA ' ' A' 1538 ' ' GLU . 71.7 mmtt -50.56 162.03 0.28 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.905 0.383 . . . . 0.0 111.465 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.456 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 12.0 pt-20 -78.15 -172.75 2.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.024 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' 1619 ' ' TYR . . . -84.82 -172.21 4.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.118 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 91.1 mt -121.66 129.66 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.472 ' HG2' ' HE1' ' A' 1617 ' ' TYR . 42.0 mt-30 -78.96 126.11 30.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.681 HD11 ' HD3' ' A' 1616 ' ' ARG . 40.2 pt -130.46 -17.35 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.384 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.825 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 41.0 ttmt 59.03 105.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 77.3 t80 -87.87 -74.16 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.029 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 6.9 t30 -106.5 -71.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -119.22 -38.85 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 49.4 m -106.01 145.02 31.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.825 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 91.8 m-85 -59.33 133.94 56.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.681 ' HD3' HD11 ' A' 1609 ' ' ILE . 78.7 ttt180 -88.9 105.67 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.658 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.472 ' HE1' ' HG2' ' A' 1608 ' ' GLN . 14.8 m-30 -84.46 102.26 12.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.579 HG23 ' HG2' ' A' 1616 ' ' ARG . 26.6 pt -124.33 130.67 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.752 ' HB2' ' HB3' ' A' 1582 ' ' PHE . 9.6 m-85 -79.06 133.43 61.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.014 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.41 -24.85 11.8 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.64 2.226 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.841 HD23 ' HB2' ' A' 1584 ' ' LYS . 48.9 tp 51.5 82.29 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.77 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 18.7 t70 -97.37 -78.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.452 ' HA ' ' H ' ' A' 1515 ' ' GLY . 80.7 p -162.88 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.408 ' H ' ' H ' ' A' 1623 ' ' SER . 1.7 pp -71.89 -27.82 63.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.627 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.493 ' O ' HG13 ' A' 1627 ' ' ILE . 61.6 m -57.73 99.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.405 ' HB3' ' O ' ' A' 1602 ' ' MET . 60.8 t-105 -60.93 108.24 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.829 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' 1625 ' ' THR . 71.4 mt -110.97 123.48 66.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.943 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -137.17 112.77 9.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.452 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 67.3 t80 -55.57 139.16 45.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.414 ' HA ' ' HD2' ' A' 1631 ' ' PRO . 5.2 t-105 -103.52 98.56 12.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.566 ' HG2' HD21 ' A' 1643 ' ' LEU . 11.3 Cg_endo -54.79 127.76 27.54 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.832 2.355 . . . . 0.0 112.334 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -111.8 17.34 19.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.223 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . 0.463 ' HB2' ' SG ' ' A' 1639 ' ' CYS . 9.7 m-20 -113.81 143.68 44.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.079 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.714 HG22 ' HA ' ' A' 1640 ' ' GLN . 25.0 p -150.61 81.39 1.34 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.793 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.736 HG23 ' H ' ' A' 1636 ' ' CYS . 0.7 OUTLIER -92.04 -67.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.637 -179.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.736 ' H ' HG23 ' A' 1635 ' ' THR . 51.9 t -161.92 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.823 0.344 . . . . 0.0 111.168 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 79.7 p -62.46 -169.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.153 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 45.4 t -67.8 0.07 3.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.01 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' 1633 ' ' ASP . 45.1 t -69.71 -16.6 63.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.752 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.714 ' HA ' HG22 ' A' 1634 ' ' THR . 9.4 tt0 -104.26 -39.23 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.13 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.411 ' HA ' HD21 ' A' 1523 ' ' LEU . 79.0 t80 -73.56 -36.43 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.566 HD21 ' HG2' ' A' 1631 ' ' PRO . 41.6 mt -70.44 -29.21 65.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -65.35 -23.86 67.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.588 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.05 -19.97 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.496 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.452 HD12 HD23 ' A' 1643 ' ' LEU . 98.5 mt -82.05 -29.97 31.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.57 -29.38 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.524 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.14 -18.9 65.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.574 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.534 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 64.7 t80 -101.2 -26.69 13.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.678 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -73.86 0.4 13.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.367 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -131.97 -24.77 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' 1656 ' ' ASN . 15.0 t70 -77.48 -30.06 52.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.061 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.588 HG21 ' HD2' ' A' 1567 ' ' TYR . 8.9 tp -67.95 -22.9 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.024 0.44 . . . . 0.0 110.691 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 20.9 t80 -100.76 -39.09 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' 1655 ' ' LEU . 0.6 OUTLIER -72.54 -52.01 17.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.362 -179.405 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.69 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -86.92 -67.3 0.83 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.056 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 79.82 164.48 29.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.94 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.4 t -142.52 160.07 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.331 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -101.02 143.8 30.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' 1511 ' ' MET . 1.8 mpt? -96.05 -174.56 3.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -138.93 122.99 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -87.78 106.89 18.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.073 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.741 ' HB2' ' HA ' ' A' 1622 ' ' ASP . 0.1 OUTLIER -94.26 89.55 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.765 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.4 ' N ' ' HA ' ' A' 1623 ' ' SER . . . 138.39 -53.51 0.71 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.921 -0.656 . . . . 0.0 112.33 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.426 ' HA ' ' ND2' ' A' 1590 ' ' ASN . 36.1 tt0 53.99 91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.776 0.322 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.47 ' H ' ' ND2' ' A' 1590 ' ' ASN . 78.6 mtp -62.45 136.33 57.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.776 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -81.35 167.38 19.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 45.9 mt-10 -62.45 159.25 15.9 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.56 -76.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.805 ' HG ' ' HB2' ' A' 1642 ' ' PHE . 4.9 mp -97.49 57.16 1.37 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.643 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 12.7 t70 -70.6 87.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.028 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' 1521 ' ' LEU . 6.0 mt -88.99 22.42 2.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.179 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 77.2 p -94.63 -22.26 18.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.251 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.467 HG13 ' OD1' ' A' 1522 ' ' ASP . 92.9 mt -84.7 137.17 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 54.7 m -82.81 -173.71 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.801 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -99.34 1.23 44.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.186 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -123.04 -2.9 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 67.8 m -82.38 -47.98 11.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.066 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 15.0 ptt85 -95.11 -8.28 36.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.411 ' HG3' ' HE1' ' A' 1649 ' ' PHE . 54.9 tttm -64.87 -40.28 94.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -59.18 -17.09 24.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.578 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.64 ' HA ' ' HB2' ' A' 1536 ' ' LYS . 59.7 m -82.39 -33.65 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.837 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -61.53 -23.18 65.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.0 t -121.99 5.42 9.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.76 ' HB3' HD13 ' A' 1539 ' ' ILE . 39.6 ttmt -59.32 140.84 87.91 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.669 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.42 -32.1 71.35 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.596 2.197 . . . . 0.0 112.311 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.525 ' O ' ' HE2' ' A' 1604 ' ' LYS . 36.9 tt0 -74.67 -22.6 58.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.904 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.1 mp -101.79 122.65 54.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.492 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -84.51 -55.69 4.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.431 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.515 ' HE1' HG22 ' A' 1601 ' ' ILE . 6.6 p90 -112.78 158.33 20.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.309 0.576 . . . . 0.0 112.07 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.97 96.82 2.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.493 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.653 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 0.3 OUTLIER -146.6 -175.16 4.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 112.355 -178.627 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.503 ' HG2' HD12 ' A' 1564 ' ' LEU . 31.9 ttpt -118.26 126.7 52.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.708 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.777 HG12 ' HA ' ' A' 1563 ' ' LEU . 22.4 m -121.43 -174.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.26 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.662 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.9 t -156.06 114.63 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.624 HD13 ' HB2' ' A' 1561 ' ' ALA . 40.5 mm -59.62 143.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 4.0 t -148.62 -7.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.479 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.844 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 57.4 m -154.11 134.15 13.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.418 HD12 ' HB2' ' A' 1595 ' ' LYS . 73.6 mt -132.38 136.51 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 62.8 m -148.3 130.12 15.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.737 HG23 HG22 ' A' 1557 ' ' VAL . 7.6 p -109.34 141.08 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -103.03 -74.53 0.63 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -144.82 -77.01 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 31.6 t -93.42 -49.64 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -94.57 141.8 28.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.605 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.737 HG22 HG23 ' A' 1552 ' ' VAL . 41.1 t -110.11 128.32 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.234 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.461 ' HE2' HD12 ' A' 1583 ' ' ILE . 35.2 mmtp -90.26 143.96 26.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.41 ' HD1' HG12 ' A' 1550 ' ' ILE . 90.3 m-85 -132.18 102.63 5.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.296 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.844 ' HB2' ' HB2' ' A' 1549 ' ' SER . 35.1 mmtp -79.29 116.73 19.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.233 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.624 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -129.15 167.14 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.087 0.47 . . . . 0.0 111.651 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 20.5 m -116.07 123.4 47.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.735 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.786 HD21 HG12 ' A' 1566 ' ' ILE . 13.0 tp -68.26 98.77 0.84 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.535 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' 1546 ' ' SER . 87.1 mt -54.67 -61.36 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.319 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' 1543 ' ' TYR . 7.4 m-20 -145.03 165.73 27.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.654 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.786 HG12 HD21 ' A' 1563 ' ' LEU . 55.6 mt -118.3 134.49 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.959 0.409 . . . . 0.0 111.936 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.653 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -113.23 -18.77 12.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.471 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 6.9 tmtm? -156.59 110.32 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.5 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 24.6 m -43.3 148.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.175 0.512 . . . . 0.0 112.1 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.85 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -105.46 131.64 10.74 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.475 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -63.31 -26.82 68.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.9 0.381 . . . . 0.0 110.573 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.822 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.14 42.73 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.473 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 80.4 t 58.9 88.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.428 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.85 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -116.94 120.71 39.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.25 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.581 ' HB3' ' HB3' ' A' 1578 ' ' SER . 9.7 tp10 -129.25 151.22 50.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.002 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.6 tttt -56.68 134.85 55.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.592 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.0 p30 46.0 36.73 3.18 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.394 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.581 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 76.8 p -80.18 -166.47 1.05 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.844 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.36 114.15 18.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.008 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.542 HD13 ' HE1' ' A' 1582 ' ' PHE . 1.7 pp -129.51 161.15 39.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.51 . . . . 0.0 111.939 -179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.4 m -127.91 130.21 48.12 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.542 ' HE1' HD13 ' A' 1580 ' ' ILE . 51.7 m-85 -112.94 116.7 30.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.962 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.502 HG23 ' HA ' ' A' 1620 ' ' PRO . 6.2 tt -94.04 107.82 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.233 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.695 ' HB2' HD12 ' A' 1621 ' ' LEU . 34.5 ttpt -92.45 153.15 19.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.426 ' N ' ' HG2' ' A' 1584 ' ' LYS . 67.5 mttm -89.39 149.56 22.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.5 p -79.79 -12.72 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 76.2 p -69.77 -32.79 71.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.5 m -56.2 106.57 0.29 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.771 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 9.7 t -87.48 12.65 11.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.469 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' 1517 ' ' MET . 7.1 t30 -138.33 -40.74 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 111.175 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -65.01 110.11 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.153 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -142.92 101.74 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.89 166.92 18.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 93.9 t -130.34 132.0 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.418 ' HB2' HD12 ' A' 1550 ' ' ILE . 40.1 ttpt -72.26 131.56 42.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 76.4 52.05 6.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.531 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 40.3 ttm180 -155.59 149.31 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.744 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.619 ' HG2' HD11 ' A' 1564 ' ' LEU . 23.3 mt-30 -89.23 141.36 28.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.288 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.531 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 81.9 m-85 -142.82 164.33 30.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.623 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 61.6 tp -111.73 122.63 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.256 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.515 HG22 ' HE1' ' A' 1541 ' ' TYR . 74.4 mt -118.12 130.25 73.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 111.721 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.436 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 59.0 mtp -145.38 106.87 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.169 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.904 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -173.99 -178.29 43.8 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.396 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' A' 1538 ' ' GLU . 17.8 tppt? -61.14 161.75 8.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.834 0.35 . . . . 0.0 111.022 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.822 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.1 pt-20 -67.46 -170.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.051 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.535 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -94.56 176.99 6.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' 1607 ' ' LEU . 6.9 mp -109.09 96.54 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.574 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.5 HE21 ' HE2' ' A' 1617 ' ' TYR . 81.8 mt-30 -59.68 113.19 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.684 HD12 ' HD1' ' A' 1615 ' ' PHE . 29.4 pt -137.55 8.22 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 3.4 tmmm? -51.0 111.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -129.32 -35.97 1.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.762 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 17.6 m120 -133.39 -73.87 0.49 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -156.96 -50.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.215 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.1 p -66.57 -12.21 56.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.684 ' HD1' HD12 ' A' 1609 ' ' ILE . 78.1 m-85 -110.04 147.67 33.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.643 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 16.0 ptm180 174.1 -161.85 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.772 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.5 ' HE2' HE21 ' A' 1608 ' ' GLN . 37.3 m-85 -68.6 -76.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.43 HG12 ' HG3' ' A' 1616 ' ' ARG . 17.9 pt 35.58 98.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.435 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.535 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 18.7 m-85 -61.19 119.72 48.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.953 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . 0.502 ' HA ' HG23 ' A' 1583 ' ' ILE . 73.6 Cg_endo -74.49 123.66 8.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.505 2.137 . . . . 0.0 112.186 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.695 HD12 ' HB2' ' A' 1584 ' ' LYS . 96.2 mt -89.38 107.79 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.741 ' HA ' ' HB2' ' A' 1514 ' ' CYS . 9.3 p-10 -129.73 -160.99 1.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.4 ' HA ' ' N ' ' A' 1515 ' ' GLY . 78.0 p -76.4 7.63 4.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.696 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.477 ' HB3' ' OD2' ' A' 1622 ' ' ASP . 0.2 OUTLIER -105.2 -31.46 9.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.347 . . . . 0.0 110.636 179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 61.8 m -68.9 109.89 4.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.23 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.436 ' HB3' ' HB2' ' A' 1602 ' ' MET . 58.0 t-105 -71.26 114.9 9.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.4 mt -117.84 133.82 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.623 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -141.4 119.31 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.98 128.07 35.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.231 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -102.86 102.32 26.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.122 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.713 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 71.6 Cg_exo -48.31 98.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.601 2.201 . . . . 0.0 112.604 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -76.01 -13.04 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.704 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.71 134.47 34.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.407 ' HB ' ' CD1' ' A' 1643 ' ' LEU . 4.4 t -166.21 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.093 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 7.5 t -91.26 -7.85 50.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 85.4 m -62.85 -49.67 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 64.0 p -145.99 -67.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.006 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 81.5 p -170.89 18.85 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 52.6 t -62.79 94.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -142.98 16.67 1.94 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.658 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.39 82.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.585 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.805 ' HB2' ' HG ' ' A' 1521 ' ' LEU . 47.8 t80 -91.2 -45.26 8.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.426 HD21 ' O ' ' A' 1631 ' ' PRO . 74.9 mt -53.32 -44.85 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.112 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -56.28 -54.79 41.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.946 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.5 t30 -69.23 -12.47 61.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.074 0.464 . . . . 0.0 110.365 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 56.1 tp -90.36 -22.17 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.819 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . 0.473 ' HA ' ' HB3' ' A' 1650 ' ' ALA . 53.8 m-20 -67.8 -34.81 77.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.673 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.54 -23.93 53.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.677 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.502 ' O ' HG22 ' A' 1653 ' ' ILE . 86.1 t80 -109.54 -23.29 11.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.665 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' A' 1647 ' ' ASP . . . -67.71 -33.81 75.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.24 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -101.17 -10.38 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.982 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.584 ' HA ' HD22 ' A' 1656 ' ' ASN . 15.1 t70 -76.56 -69.3 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' 1649 ' ' PHE . 8.8 tp -58.9 -23.51 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 65.8 t80 -75.41 -53.19 9.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.03 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 5.7 tt -83.18 -65.42 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.529 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.584 HD22 ' HA ' ' A' 1652 ' ' ASP . 23.8 m-80 -58.6 -65.93 0.58 Allowed 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.442 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 86.13 -179.0 49.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.853 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.2 p -96.13 127.66 42.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.759 0.314 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -150.24 133.47 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 64.8 mtt 58.87 -171.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.972 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -98.55 111.1 23.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.541 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -78.91 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.348 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' 1591 ' ' ALA . 13.8 t -51.11 107.91 0.21 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.902 0.382 . . . . 0.0 110.318 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 98.69 -45.41 1.62 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.664 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 51.69 94.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.411 -0.395 . . . . 0.0 111.336 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 26.5 mmt -85.82 132.86 34.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -81.86 162.79 22.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' 1522 ' ' ASP . 15.9 mm-40 -70.32 -178.42 1.7 Allowed 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.55 130.5 56.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 97.0 mt 58.91 20.2 7.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' 1519 ' ' GLU . 5.6 p-10 -61.35 109.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.774 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 87.4 mt -87.93 99.23 11.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 5.4 t -171.01 -38.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.059 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.482 HD12 ' HE ' ' A' 1530 ' ' ARG . 4.9 pt -91.43 133.4 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.183 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.2 p -91.99 -177.28 4.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -76.71 -9.22 58.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.5 mt-10 -93.56 -34.65 13.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 33.4 m -61.76 -21.29 64.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.482 ' HE ' HD12 ' A' 1525 ' ' ILE . 56.5 mtt180 -95.57 -37.71 10.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.043 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.529 ' HE2' HD13 ' A' 1653 ' ' ILE . 25.6 tptp -67.38 -39.42 85.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' 1528 ' ' GLU . 50.2 mt-30 -57.02 -17.67 10.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.972 0.415 . . . . 0.0 110.553 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.849 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 87.2 m -90.51 -39.76 12.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.723 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.99 86.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.29 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 41.2 t -64.54 -22.7 67.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.047 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.849 ' HE3' ' HA ' ' A' 1533 ' ' THR . 10.3 mtmp? -66.23 149.51 97.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.25 -22.0 54.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.487 2.125 . . . . 0.0 112.183 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.88 -26.63 68.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.794 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.639 HG13 HG22 ' A' 1533 ' ' THR . 26.3 mm -101.55 96.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -70.75 -48.63 53.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.608 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.3 p90 -122.1 155.78 34.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.162 0.506 . . . . 0.0 111.415 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.539 ' N ' ' HB3' ' A' 1568 ' ' LYS . . . -145.74 98.7 3.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.918 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.637 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.6 p90 -146.82 176.54 9.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.441 . . . . 0.0 111.646 -179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.499 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 12.2 ptmm? -118.2 147.48 43.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.051 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.826 HG12 ' HA ' ' A' 1563 ' ' LEU . 8.5 m -140.0 -178.81 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.061 0.458 . . . . 0.0 111.724 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.436 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.7 t -143.21 116.81 9.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.566 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.465 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 35.3 mm -60.04 142.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 65.9 p -126.8 -37.22 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.465 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 73.3 m -147.1 154.35 41.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.036 0.446 . . . . 0.0 111.369 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.2 mt -130.54 106.21 12.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.775 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 59.6 m -98.48 145.67 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 10.9 p -140.02 140.71 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.82 -74.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -144.97 -57.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 84.8 t -112.82 -59.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -74.5 122.95 23.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.5 t -98.71 121.57 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.493 ' NZ ' HD12 ' A' 1583 ' ' ILE . 75.5 mmtt -90.61 153.25 20.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.762 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 97.6 m-85 -137.53 103.03 4.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.773 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -82.82 109.8 17.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.711 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.53 161.95 31.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.399 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.4 m -108.62 131.15 55.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.826 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.9 tp -70.11 105.66 2.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.212 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.643 ' H ' ' HA ' ' A' 1545 ' ' VAL . 84.0 mt -59.12 -61.39 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 111.246 -179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.606 ' O ' ' HB2' ' A' 1543 ' ' TYR . 9.2 m-20 -151.87 159.76 43.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.723 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.637 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 42.5 mt -112.59 134.88 53.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 120.987 0.422 . . . . 0.0 111.925 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.51 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 44.8 m-85 -113.29 -22.75 10.28 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.539 ' HB3' ' N ' ' A' 1542 ' ' ALA . 20.3 ttmm -144.62 109.64 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.517 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 52.2 m -46.49 143.9 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.067 0.46 . . . . 0.0 111.861 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.846 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -96.77 125.68 8.55 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.452 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -58.05 -25.0 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 110.563 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -92.3 42.05 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.476 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 76.4 t 60.35 95.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.447 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.846 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -126.21 128.16 46.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.461 ' HB2' ' OG ' ' A' 1578 ' ' SER . 45.4 mt-10 -133.51 153.03 51.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.033 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 61.8 tttm -57.32 123.33 15.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.638 ' HA ' ' O ' ' A' 1563 ' ' LEU . 21.4 t70 62.05 59.17 1.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.631 ' H ' ' HB3' ' A' 1563 ' ' LEU . 72.6 m -106.57 -179.43 3.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.498 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -103.28 129.49 50.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.591 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.464 HG22 ' CE1' ' A' 1619 ' ' TYR . 9.2 pt -135.72 144.43 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.403 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 23.2 m -124.08 106.93 10.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.762 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 56.0 m-85 -80.49 128.03 33.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.017 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.81 HG23 ' HA ' ' A' 1620 ' ' PRO . 3.5 tt -111.46 111.0 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.882 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.758 ' HB2' HD12 ' A' 1621 ' ' LEU . 1.5 tmmt? -115.26 126.24 54.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.858 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 66.9 mttm -68.2 141.62 55.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.5 p -58.69 -18.16 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.7 p -69.45 -34.84 75.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.736 ' HB2' ' HD3' ' A' 1584 ' ' LYS . 3.7 m -58.92 105.65 0.34 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 91.2 m -84.03 -41.51 17.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.376 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -81.93 19.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.209 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' 1514 ' ' CYS . . . -125.93 113.04 16.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -152.83 100.92 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.81 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' 1593 ' ' LEU . 4.2 mp -92.02 155.24 18.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.428 HG13 ' HD3' ' A' 1597 ' ' ARG . 6.0 p -138.17 137.4 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.465 ' HA ' ' HB ' ' A' 1547 ' ' ILE . 21.6 ptmt -68.05 156.33 37.6 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 89.56 -1.02 81.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.696 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.428 ' HD3' HG13 ' A' 1594 ' ' VAL . 27.5 mtp180 -122.27 165.35 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 111.263 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.427 ' HG3' ' HD2' ' A' 1632 ' ' ARG . 26.8 mt-30 -112.98 145.45 40.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.989 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -139.96 150.64 44.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.916 0.389 . . . . 0.0 111.468 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' 1543 ' ' TYR . 58.6 tp -98.86 131.26 45.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.125 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.527 ' N ' HD12 ' A' 1601 ' ' ILE . 3.7 mp -118.72 132.93 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.075 0.464 . . . . 0.0 111.919 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.518 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 74.4 mtp -147.55 111.24 5.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.127 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.572 ' N ' HG23 ' A' 1539 ' ' ILE . . . 177.44 -171.71 44.45 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 119.772 -1.204 . . . . 0.0 113.781 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -51.6 156.73 1.26 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.862 0.363 . . . . 0.0 111.383 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.516 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.0 pt-20 -65.39 162.69 17.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.848 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.499 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -64.81 148.21 51.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.6 -173.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.689 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.547 ' HG2' ' H ' ' A' 1609 ' ' ILE . 33.3 tt0 -131.45 171.62 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.783 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' 1609 ' ' ILE . 0.2 OUTLIER 39.79 91.23 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.501 179.497 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.56 ' HB2' ' O ' ' A' 1616 ' ' ARG . 13.3 tmtt? -83.42 -81.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.574 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 78.2 t80 -177.45 -34.28 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.809 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 7.1 t30 -58.72 124.72 20.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.984 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 62.31 -81.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.236 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 46.8 t -141.92 -26.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.778 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . . . . . . . . . 49.2 p90 -172.98 157.88 3.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' 1610 ' ' LYS . 6.9 tpm_? -162.5 108.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.788 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.527 ' CE1' ' HG3' ' A' 1608 ' ' GLN . 2.6 m-85 -59.44 108.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.483 HD13 ' HG2' ' A' 1610 ' ' LYS . 36.1 pt -117.7 161.34 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.225 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 13.8 m-85 -110.9 109.54 57.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . 0.81 ' HA ' HG23 ' A' 1583 ' ' ILE . 65.1 Cg_endo -72.35 178.94 5.52 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' 1584 ' ' LYS . 96.3 mt -143.34 97.79 3.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.774 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.833 ' HB2' HD12 ' A' 1624 ' ' LEU . 12.0 m-20 -120.87 -162.86 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.6 p -80.69 3.71 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.673 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.833 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -103.55 -11.87 17.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.63 ' N ' HD13 ' A' 1624 ' ' LEU . 68.6 m -85.94 134.18 33.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.518 ' HB3' ' HB2' ' A' 1602 ' ' MET . 68.4 t-105 -98.56 113.99 26.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.799 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.654 HD11 HD22 ' A' 1621 ' ' LEU . 70.4 mt -122.29 111.6 31.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.01 115.4 19.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.564 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.466 ' O ' ' HD3' ' A' 1631 ' ' PRO . 91.1 t80 -53.63 136.56 38.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.182 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -102.3 100.67 16.21 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.283 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.526 ' HB2' HD11 ' A' 1643 ' ' LEU . 77.6 Cg_exo -48.27 121.68 6.5 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.687 2.258 . . . . 0.0 112.427 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.427 ' HD2' ' HG3' ' A' 1598 ' ' GLN . 80.2 mtp180 -95.44 21.86 7.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.172 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -124.55 131.29 53.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 111.214 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.497 HG22 HD12 ' A' 1643 ' ' LEU . 69.8 p -138.36 6.79 2.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.937 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 71.9 p -58.22 -57.65 11.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.248 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.551 ' HB2' ' HB2' ' A' 1639 ' ' CYS . 82.5 m -70.94 142.06 51.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 79.9 p -62.96 -36.34 83.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 51.3 m -81.69 -5.54 58.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.551 ' HB2' ' HB2' ' A' 1636 ' ' CYS . 42.7 t -93.75 4.62 53.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.797 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.432 ' OE1' ' HB ' ' A' 1634 ' ' THR . 28.8 mt-30 -115.26 -1.83 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -64.42 -22.31 66.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.028 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 68.7 t80 -98.08 -30.45 12.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' 1631 ' ' PRO . 92.7 mt -88.93 8.8 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.137 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -90.62 -28.98 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.634 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -82.18 -34.44 29.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.537 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.435 HD12 HD23 ' A' 1643 ' ' LEU . 96.8 mt -62.8 -32.05 73.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.43 -44.78 95.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.465 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.63 -38.82 80.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.498 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.435 ' O ' HG22 ' A' 1653 ' ' ILE . 85.4 t80 -63.7 -29.41 70.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.655 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.22 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -70.07 -15.99 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.115 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.666 ' HA ' HD21 ' A' 1656 ' ' ASN . 11.9 t70 -65.11 -71.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.796 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.554 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 4.9 tp -60.05 -30.67 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 47.0 t80 -66.12 -34.59 78.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.152 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.6 tt -109.36 -77.42 0.6 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.018 0.437 . . . . 0.0 110.967 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.666 HD21 ' HA ' ' A' 1652 ' ' ASP . 5.1 p30 -81.48 37.75 0.47 Allowed 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.322 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.554 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -56.27 118.1 10.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.573 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . 0.453 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 42.7 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 46.3 t -143.79 -7.1 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -94.99 114.77 26.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.0 tpt -122.31 -29.34 4.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 67.5 -0.67 1.81 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.415 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.728 ' HB2' ' HG2' ' A' 1516 ' ' GLN . 3.9 p-10 -174.14 84.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.111 0.481 . . . . 0.0 111.029 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.778 ' H ' ' H ' ' A' 1589 ' ' THR . 3.9 m -81.47 -18.04 46.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.007 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.447 ' H ' ' HA ' ' A' 1589 ' ' THR . . . -124.37 -42.83 0.34 Allowed Glycine 0 C--N 1.32 -0.316 0 CA-C-N 115.388 -0.824 . . . . 0.0 113.202 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.922 ' H ' ' HA ' ' A' 1589 ' ' THR . 47.7 mt-30 66.72 153.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.915 0.388 . . . . 0.0 111.095 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 9.2 mmt -73.21 -176.72 2.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.034 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -108.25 170.54 7.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.63 132.21 51.59 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.991 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.98 116.1 28.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 93.0 mt 59.48 97.8 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 9.9 t70 -160.34 112.2 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.683 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.05 99.69 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.126 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . 0.479 HG23 HG13 ' A' 1525 ' ' ILE . 9.0 t -175.07 -29.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.009 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.479 HG13 HG23 ' A' 1524 ' ' THR . 59.6 mt -89.05 106.5 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.03 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 50.7 m -76.35 -178.92 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.71 -26.21 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.2 mt-10 -94.09 -22.62 18.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.5 m -57.69 -59.87 4.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.601 HH12 ' HG2' ' A' 1628 ' ' GLU . 16.5 ptp180 -71.19 -24.43 62.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.522 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.586 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 23.9 tptm -63.73 -24.83 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.785 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.5 mm-40 -55.49 -24.8 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.297 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.687 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 94.8 m -83.14 -41.35 18.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.809 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.586 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -69.66 -15.09 63.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 1.7 m -87.29 -19.7 27.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.687 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.0 mtmt -63.43 145.27 97.3 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.29 -1.49 9.72 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.612 2.208 . . . . 0.0 112.381 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' 1604 ' ' LYS . 11.4 pt-20 -87.35 -36.98 17.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.645 HD12 ' HA2' ' A' 1603 ' ' GLY . 43.6 mm -78.85 124.36 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -92.81 -64.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.593 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.46 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 2.1 p90 -100.08 163.48 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.294 0.569 . . . . 0.0 112.044 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.83 97.6 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.725 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.559 ' HA ' ' HD1' ' A' 1567 ' ' TYR . 7.1 p90 -142.08 178.71 7.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.064 0.459 . . . . 0.0 111.751 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -124.18 124.84 43.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.163 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.778 HG12 ' HA ' ' A' 1563 ' ' LEU . 8.9 m -119.27 -174.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.0 0.429 . . . . 0.0 111.729 -179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.451 ' CB ' HD11 ' A' 1564 ' ' LEU . 16.1 t -144.84 125.95 14.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.558 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.499 HG13 ' HB3' ' A' 1593 ' ' LEU . 42.4 mm -64.38 148.29 11.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 73.6 p -135.31 -50.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.56 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.815 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 33.6 t -127.85 165.55 19.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.989 0.423 . . . . 0.0 111.329 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.8 mt -132.24 131.44 60.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 68.4 m -119.61 126.81 52.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.301 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.677 HG23 HG22 ' A' 1557 ' ' VAL . 9.6 p -139.33 138.86 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.33 -71.23 0.75 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.003 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . 0.421 ' OD1' HG23 ' A' 1555 ' ' VAL . 5.4 p30 -149.6 -52.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.984 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.421 HG23 ' OD1' ' A' 1554 ' ' ASN . 91.4 t -118.05 -55.38 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -77.07 113.46 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.805 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.677 HG22 HG23 ' A' 1552 ' ' VAL . 59.4 t -108.98 110.34 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.539 ' HG3' ' HB ' ' A' 1583 ' ' ILE . 3.8 mppt? -97.59 166.27 11.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.8 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -140.52 122.18 15.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.815 ' HB3' ' HB3' ' A' 1549 ' ' SER . 16.4 tppt? -84.8 135.35 34.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -159.17 163.98 35.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 111.389 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.7 m -117.06 131.99 56.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.957 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.778 ' HA ' HG12 ' A' 1545 ' ' VAL . 14.6 tp -69.54 136.75 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' 1563 ' ' LEU . 9.9 mp -93.44 -51.33 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.648 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.526 ' O ' HD11 ' A' 1563 ' ' LEU . 8.5 m-20 -148.67 153.56 38.44 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.537 HD13 ' HB3' ' A' 1543 ' ' TYR . 9.9 mm -105.98 117.73 52.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.581 ' HB3' HG21 ' A' 1653 ' ' ILE . 55.0 m-85 -97.94 -19.63 17.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.308 0.575 . . . . 0.0 109.706 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.446 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 9.7 tmtt? -155.03 109.92 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.389 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 30.0 m -44.35 142.8 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.156 0.503 . . . . 0.0 112.034 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.737 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -106.18 148.91 16.55 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.291 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 13.7 mm-40 -75.05 -0.3 18.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.403 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -114.35 67.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.833 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' 1573 ' ' VAL . 8.0 p 39.42 41.43 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.654 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.737 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -74.48 129.34 37.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.974 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.589 ' O ' HD23 ' A' 1563 ' ' LEU . 9.8 tp10 -151.1 147.06 26.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.546 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -55.39 131.85 46.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.643 ' HA ' ' O ' ' A' 1563 ' ' LEU . 15.3 t70 65.53 34.76 7.67 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.421 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.544 ' OG ' ' HB3' ' A' 1575 ' ' GLU . 34.1 m -92.61 -176.5 4.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.483 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.68 137.14 37.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.63 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.403 ' CG1' ' N ' ' A' 1581 ' ' THR . 0.9 OUTLIER -143.33 153.75 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.164 0.507 . . . . 0.0 111.411 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . 0.403 ' N ' ' CG1' ' A' 1580 ' ' ILE . 61.5 m -152.74 118.61 5.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.924 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.421 ' HZ ' HG13 ' A' 1601 ' ' ILE . 89.8 m-85 -80.59 167.41 20.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.638 HG23 ' HA ' ' A' 1620 ' ' PRO . 5.0 tt -158.11 117.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.795 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.74 ' HE3' ' HA ' ' A' 1586 ' ' VAL . 39.3 ttpt -120.9 153.72 36.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.219 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.476 ' O ' HG12 ' A' 1586 ' ' VAL . 97.3 mttt -92.97 20.57 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.507 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.74 ' HA ' ' HE3' ' A' 1584 ' ' LYS . 6.7 p 44.14 24.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.764 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 63.8 p -139.07 -3.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.338 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 1.2 m -133.53 141.71 47.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.775 0.321 . . . . 0.0 110.959 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . 0.922 ' HA ' ' H ' ' A' 1516 ' ' GLN . 73.8 m 50.34 93.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.614 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.708 ' HB2' ' HB3' ' A' 1513 ' ' ASP . 2.3 t-20 -61.92 85.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.282 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.634 ' HB3' HD21 ' A' 1621 ' ' LEU . . . -113.92 137.19 52.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.42 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -127.7 98.24 5.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.564 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.499 ' HB3' HG13 ' A' 1547 ' ' ILE . 85.0 mt -84.28 122.84 29.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.067 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 61.9 t -107.04 126.21 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 21.8 pttp -62.99 135.56 57.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 102.9 -18.52 49.61 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.628 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.5 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 91.2 mtt180 -99.65 169.96 8.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.004 0.431 . . . . 0.0 111.401 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -116.53 143.16 45.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.718 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -139.9 152.79 46.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.907 0.384 . . . . 0.0 111.214 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 61.3 tp -94.56 135.1 36.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.257 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.421 HG13 ' HZ ' ' A' 1582 ' ' PHE . 49.5 mm -128.89 124.87 61.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.961 0.41 . . . . 0.0 111.886 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . . . . . . . . . 31.8 mtm -141.38 117.98 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.109 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.645 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -170.72 177.12 43.97 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.272 -0.966 . . . . 0.0 113.142 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.463 ' HD2' ' C ' ' A' 1604 ' ' LYS . 0.0 OUTLIER -59.37 177.22 0.2 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.863 0.364 . . . . 0.0 111.489 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.471 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.3 pt-20 -60.15 173.77 0.6 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.432 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -103.18 155.84 18.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.244 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' 1617 ' ' TYR . 4.1 mm? -65.35 113.75 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.509 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 45.5 mt-30 -81.9 30.24 0.38 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.443 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.479 HD13 ' C ' ' A' 1609 ' ' ILE . 0.0 OUTLIER -175.24 113.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.062 0.458 . . . . 0.0 111.22 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.692 ' HD3' HD11 ' A' 1618 ' ' ILE . 23.5 tptm -101.58 -23.95 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.67 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . 0.546 ' HD2' ' H ' ' A' 1613 ' ' ALA . 66.7 t80 -161.17 -90.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' 1611 ' ' TYR . 6.9 t30 177.14 -30.69 0.0 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . 0.546 ' H ' ' HD2' ' A' 1611 ' ' TYR . . . -52.72 -30.82 34.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.461 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . 0.426 ' H ' ' H ' ' A' 1615 ' ' PHE . 80.5 p -171.16 1.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.095 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.426 ' H ' ' H ' ' A' 1614 ' ' SER . 59.7 m-85 61.45 171.81 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.631 ' HG2' HG23 ' A' 1618 ' ' ILE . 55.7 ttt180 -164.79 128.07 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.493 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.582 ' HA ' ' O ' ' A' 1607 ' ' LEU . 1.9 m-30 -96.22 31.84 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.558 -179.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.692 HD11 ' HD3' ' A' 1610 ' ' LYS . 5.6 pt -56.82 145.05 7.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 111.145 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 20.3 m-85 -97.75 125.89 42.88 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.719 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . 0.638 ' HA ' HG23 ' A' 1583 ' ' ILE . 28.3 Cg_endo -62.24 -168.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.571 2.18 . . . . 0.0 112.295 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.67 HD23 ' HD3' ' A' 1584 ' ' LYS . 16.4 tp -153.48 40.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -92.66 -172.38 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.465 ' HB2' ' C ' ' A' 1514 ' ' CYS . 48.2 t -69.98 77.09 0.49 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.216 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 62.8 tp -175.24 -26.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.359 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 46.5 m -78.81 101.41 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.154 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -66.88 112.77 4.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' 1600 ' ' LEU . 57.7 mt -119.83 135.03 61.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.676 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 10.4 tp10 -132.35 111.94 11.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.5 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 24.6 t80 -57.17 114.73 2.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -100.42 103.36 23.08 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.094 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.514 ' HB2' HD21 ' A' 1643 ' ' LEU . 80.4 Cg_exo -45.29 102.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.674 2.249 . . . . 0.0 112.59 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.423 ' O ' ' HD3' ' A' 1632 ' ' ARG . 4.4 tmt_? -53.66 -42.17 67.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . 0.517 ' HB3' ' HB2' ' A' 1636 ' ' CYS . 9.6 m-20 -89.27 110.7 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.756 HG22 HD13 ' A' 1643 ' ' LEU . 63.8 p -95.44 -48.0 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 72.2 p -85.91 20.43 2.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.19 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' 1633 ' ' ASP . 51.5 t -55.65 -46.48 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 72.7 p -164.81 -63.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.4 p -167.01 25.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 83.7 m -82.31 26.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.602 ' HA ' HD12 ' A' 1643 ' ' LEU . 28.2 mt-30 -89.57 2.44 54.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.33 94.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.967 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -84.93 -23.01 29.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.532 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.756 HD13 HG22 ' A' 1634 ' ' THR . 47.8 mt -73.89 -11.73 60.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -80.45 -32.99 37.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.021 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -76.05 -25.31 55.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 85.8 mt -74.87 -31.34 61.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.5 -30.89 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.5 -47.65 69.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.765 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.435 ' O ' HG22 ' A' 1653 ' ' ILE . 81.6 t80 -55.55 -28.25 53.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.787 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.46 92.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -87.33 -7.24 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.023 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.785 ' HA ' HD22 ' A' 1656 ' ' ASN . 1.4 m-20 -84.59 -71.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.042 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.581 HG21 ' HB3' ' A' 1567 ' ' TYR . 8.9 tp -53.98 -25.66 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.189 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 76.8 t80 -78.84 -57.13 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.443 HD13 ' C ' ' A' 1655 ' ' LEU . 3.2 tm? -84.01 -65.84 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.785 HD22 ' HA ' ' A' 1652 ' ' ASP . 34.2 m-80 -58.18 -74.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.217 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 87.36 -168.17 38.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.413 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.888 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 53.4 m -92.88 138.46 31.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 46.3 t60 -96.65 128.52 43.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.779 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 52.2 ttm -108.28 120.13 41.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.003 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -133.39 141.25 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -66.07 -33.64 76.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.201 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' 1516 ' ' GLN . 7.4 t 60.13 -152.63 0.39 Allowed 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.48 ' O ' ' HG2' ' A' 1517 ' ' MET . . . -55.8 83.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.774 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' 1514 ' ' CYS . 25.0 mt-30 -47.74 -25.21 1.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.368 0.267 . . . . 0.0 111.541 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' 1515 ' ' GLY . 22.8 mmt 59.05 -174.23 0.1 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.077 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . 0.427 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 11.8 pt20 -151.56 173.36 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -60.9 144.33 53.19 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.992 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.43 -16.77 64.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 68.5 mt -149.7 102.46 3.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.487 ' OD1' HG13 ' A' 1525 ' ' ILE . 11.2 t70 -129.47 122.63 29.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.672 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 42.2 mt -109.57 14.14 23.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.028 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 70.0 p -92.45 -20.06 21.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.487 HG13 ' OD1' ' A' 1522 ' ' ASP . 85.6 mt -83.87 138.18 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 43.9 t -85.67 169.45 13.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -75.8 -16.22 60.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -93.32 -19.64 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.2 m -74.41 -30.02 61.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.598 HH12 ' HA ' ' A' 1646 ' ' LEU . 4.7 ptm180 -95.08 -12.99 25.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.536 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.2 tmtp? -97.05 -33.36 11.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.806 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.64 -16.73 28.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.974 0.416 . . . . 0.0 110.476 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.697 HG22 HG13 ' A' 1539 ' ' ILE . 48.4 m -91.34 -23.27 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.55 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.07 91.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.14 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 48.9 t -85.25 0.55 51.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.982 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.487 ' HE3' ' HA ' ' A' 1533 ' ' THR . 40.6 ttmt -61.82 133.73 93.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 51.5 Cg_exo -54.48 -43.25 60.53 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.583 2.188 . . . . 0.0 112.214 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.687 ' HG3' ' HE3' ' A' 1604 ' ' LYS . 35.3 tt0 -61.0 -27.67 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.75 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.697 HG13 HG22 ' A' 1533 ' ' THR . 37.2 mm -93.52 110.52 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.037 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -74.47 -64.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.415 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.884 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.1 p90 -105.32 156.62 17.98 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.163 0.506 . . . . 0.0 111.74 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.12 97.67 3.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.326 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.761 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 11.6 p90 -153.78 173.66 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.039 0.447 . . . . 0.0 111.858 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.672 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 21.3 pttp -110.81 150.75 28.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.894 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.848 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.7 m -141.46 -175.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.906 0.384 . . . . 0.0 111.599 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.416 ' HB3' HD11 ' A' 1564 ' ' LEU . 78.9 p -145.98 114.91 6.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.982 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.507 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.3 mm -56.09 144.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.698 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' 1561 ' ' ALA . 4.8 t -138.14 -8.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.625 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.868 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 36.8 t -165.24 157.09 15.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.985 0.421 . . . . 0.0 111.426 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.6 mt -137.78 133.86 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.671 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . 0.749 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 97.3 m -121.67 133.54 54.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 111.484 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 37.3 t -127.64 122.25 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.407 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -106.45 -86.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.273 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 15.6 m120 -134.36 -79.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.32 . . . . 0.0 111.218 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 86.8 t -93.75 -42.49 13.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -94.41 144.4 25.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.1 t -117.42 119.14 60.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.964 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.749 ' HB2' ' HB ' ' A' 1551 ' ' THR . 3.9 mptp? -85.73 158.11 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -144.48 119.11 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.868 ' HB2' ' HB3' ' A' 1549 ' ' SER . 35.3 mmtp -100.03 121.07 40.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.396 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.619 ' HA ' HG22 ' A' 1548 ' ' THR . . . -138.58 164.29 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.012 0.434 . . . . 0.0 111.673 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -112.92 131.11 55.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.735 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.848 ' HA ' HG12 ' A' 1545 ' ' VAL . 1.8 tt -66.38 134.24 52.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.672 ' HB2' ' HG3' ' A' 1544 ' ' LYS . 74.1 mt -90.12 -49.78 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.712 0.292 . . . . 0.0 110.824 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.8 t70 -166.98 138.46 3.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.761 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 65.6 mt -95.24 132.33 39.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.144 0.497 . . . . 0.0 112.063 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' 1542 ' ' ALA . 28.5 m-85 -107.33 -18.34 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.196 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.5 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 87.0 tttt -154.27 117.44 4.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.735 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . 0.61 HG22 ' H ' ' A' 1571 ' ' GLU . 12.2 m -46.81 153.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.066 0.46 . . . . 0.0 111.616 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.884 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -84.98 -3.02 88.13 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.998 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.61 ' H ' HG22 ' A' 1569 ' ' THR . 37.2 tt0 59.55 10.24 1.84 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.14 0.495 . . . . 0.0 110.628 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -131.93 -77.21 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.335 0.588 . . . . 0.0 110.933 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' 1573 ' ' VAL . 9.3 p -151.7 37.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.014 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.793 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -83.12 116.36 22.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.919 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.422 ' O ' HD13 ' A' 1563 ' ' LEU . 45.7 mt-10 -129.83 137.01 50.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.663 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -51.93 122.46 8.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.697 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.0 t70 66.17 42.38 3.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 46.4 p -90.15 -168.0 2.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.562 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -111.88 104.88 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.526 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.667 HD12 ' HE1' ' A' 1582 ' ' PHE . 28.9 pt -100.96 148.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.52 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.5 m -140.32 100.42 3.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.653 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.667 ' HE1' HD12 ' A' 1580 ' ' ILE . 60.2 m-85 -94.33 136.2 34.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.309 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.689 HG22 ' HG3' ' A' 1558 ' ' LYS . 44.7 pt -123.95 146.15 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.891 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.788 ' HB3' HD23 ' A' 1621 ' ' LEU . 58.3 pttt -139.46 -169.69 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.504 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -101.72 -174.84 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.821 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.0 p -85.58 -29.12 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.3 p -82.3 6.64 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.99 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.54 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 25.7 t -90.93 31.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.682 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 7.3 t -54.98 -25.54 30.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.446 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 22.0 m120 -59.61 -55.62 32.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.914 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.436 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -67.57 102.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.731 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -107.17 146.26 31.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.192 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.6 mt -134.15 168.83 18.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.73 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.494 ' HB ' ' HB2' ' A' 1597 ' ' ARG . 49.0 t -133.29 130.89 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -68.72 107.28 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.688 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 106.03 6.99 36.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.323 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.662 ' HE ' ' HA ' ' A' 1597 ' ' ARG . 2.5 tpm_? -100.96 158.95 15.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.72 0.295 . . . . 0.0 110.653 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' 1597 ' ' ARG . 25.3 mt-30 -103.09 133.16 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -140.03 144.4 36.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.175 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.591 HD22 HH21 ' A' 1530 ' ' ARG . 61.2 tp -89.34 122.55 32.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.3 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.501 HG22 ' HE1' ' A' 1541 ' ' TYR . 77.3 mt -115.54 127.3 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.096 0.474 . . . . 0.0 111.549 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.497 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 60.1 mtp -144.52 118.27 9.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.194 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.581 ' N ' HG23 ' A' 1539 ' ' ILE . . . 174.57 -162.16 32.2 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.068 -1.063 . . . . 0.0 113.547 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.687 ' HE3' ' HG3' ' A' 1538 ' ' GLU . 35.0 mmtp -49.58 148.61 2.78 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.75 0.31 . . . . 0.0 111.317 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.41 -174.49 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.191 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -76.61 153.32 35.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.193 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.447 HD12 HG13 ' A' 1618 ' ' ILE . 93.2 mt -67.89 -170.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.791 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.468 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 54.7 mt-30 -151.16 93.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.272 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' 1616 ' ' ARG . 1.4 mm -84.97 -40.08 14.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.181 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.814 ' HA ' ' H ' ' A' 1615 ' ' PHE . 0.1 OUTLIER 42.5 -173.21 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.312 179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -169.75 -54.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.291 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -133.31 -16.79 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.103 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -168.96 -38.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.505 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.1 p -175.33 112.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.621 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.814 ' H ' ' HA ' ' A' 1610 ' ' LYS . 76.3 t80 -96.65 -80.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.95 0.405 . . . . 0.0 111.012 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.56 ' O ' HG12 ' A' 1609 ' ' ILE . 30.8 tpt180 -144.78 146.59 32.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.316 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.468 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 16.5 m-85 -121.56 70.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.407 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.447 HG13 HD12 ' A' 1607 ' ' LEU . 37.5 pt -66.73 -178.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.279 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.483 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 68.4 m-85 -128.62 134.84 26.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.991 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.87 171.81 16.68 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.588 2.192 . . . . 0.0 112.29 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.788 HD23 ' HB3' ' A' 1584 ' ' LYS . 52.1 tp -150.63 104.59 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.788 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 10.6 m-20 -137.7 -160.14 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 47.9 t -74.71 -34.77 62.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.558 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.498 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.8 pt? -67.11 -15.58 63.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.28 . . . . 0.0 110.964 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 55.6 m -71.23 112.81 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.497 ' HB3' ' HB2' ' A' 1602 ' ' MET . 50.1 t-105 -74.98 109.77 8.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.727 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.479 ' HA ' ' O ' ' A' 1600 ' ' LEU . 62.9 mt -123.92 123.2 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.434 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -125.84 149.19 48.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.031 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.496 ' O ' ' HD3' ' A' 1631 ' ' PRO . 38.8 t80 -80.71 130.07 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.463 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.402 ' CZ2' HD23 ' A' 1646 ' ' LEU . 4.7 t-105 -108.88 92.13 10.14 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.471 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.8 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.4 Cg_exo -53.76 102.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.589 2.193 . . . . 0.0 112.408 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -74.71 -23.27 58.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.695 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -89.03 137.16 32.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 65.8 p -141.39 8.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 80.2 p -101.2 11.07 40.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.263 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 44.3 t -105.77 158.02 17.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 46.4 t -61.88 123.23 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 83.8 p 47.64 72.02 0.29 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.293 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 78.1 m -148.58 -17.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.779 ' HA ' HD23 ' A' 1643 ' ' LEU . 19.5 pm0 -96.46 -0.14 49.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -66.16 -26.44 67.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.573 ' O ' HD13 ' A' 1646 ' ' LEU . 56.2 t80 -76.22 -31.39 58.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.809 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.8 HD21 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -74.15 -0.45 16.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.13 -54.78 4.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 7.7 p30 -62.7 -15.61 53.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.698 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.598 ' HA ' HH12 ' A' 1530 ' ' ARG . 8.6 mp -77.02 -32.16 56.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.609 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.96 -39.04 93.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' 1652 ' ' ASP . 1.3 mp0 -74.52 -1.1 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.805 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 47.9 t80 -103.44 -30.77 10.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.803 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . 0.627 ' O ' HG22 ' A' 1653 ' ' ILE . . . -59.41 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.31 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . 0.627 ' HA ' ' HD2' ' A' 1654 ' ' PHE . 28.7 tt0 -60.75 -4.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.312 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' 1648 ' ' GLU . 22.6 t70 -74.47 -6.78 50.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.454 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' 1650 ' ' ALA . 6.6 tt -114.33 -42.34 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . 0.627 ' HD2' ' HA ' ' A' 1651 ' ' GLU . 9.5 m-85 -68.18 -44.8 75.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.937 0.399 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.432 ' HB2' ' HG2' ' A' 1651 ' ' GLU . 1.4 tp -75.89 -46.1 31.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.026 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' 1652 ' ' ASP . 44.0 m-80 -75.3 -72.1 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.88 108.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.883 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.7 t -141.56 140.47 33.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 16.6 p80 -97.59 149.34 22.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 55.9 ttp -91.25 156.52 17.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.789 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -113.37 174.05 6.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -97.22 39.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.628 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 35.2 t -50.17 110.03 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.801 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.482 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 80.24 38.91 16.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.105 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.408 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 53.5 tt0 -51.93 103.4 0.06 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.837 0.351 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 25.2 mmt -71.63 151.67 43.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . 0.503 ' HG3' ' HG2' ' A' 1628 ' ' GLU . 15.7 mm100 -79.92 167.89 19.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.612 ' HB2' ' HB3' ' A' 1522 ' ' ASP . 45.8 mt-10 -66.65 171.33 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -103.02 128.04 50.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' 1642 ' ' PHE . 76.0 mt 57.73 21.98 7.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.612 ' HB3' ' HB2' ' A' 1519 ' ' GLU . 5.4 p-10 -57.97 104.99 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.737 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 67.5 mt -91.13 97.33 11.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . 0.472 HG23 HG13 ' A' 1525 ' ' ILE . 6.9 t -172.97 -24.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.472 HG13 HG23 ' A' 1524 ' ' THR . 60.0 mt -94.67 122.15 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 85.8 p -86.49 -175.75 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.795 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -81.93 0.45 39.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -119.56 -12.57 9.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 86.7 m -84.37 -36.27 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.451 ' HB3' HG21 ' A' 1525 ' ' ILE . 5.5 ptp180 -86.94 -24.61 24.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.021 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.614 ' HE3' HD13 ' A' 1653 ' ' ILE . 88.1 tttt -68.64 -22.48 64.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -55.6 -22.06 20.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.03 0.443 . . . . 0.0 110.326 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.742 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 48.2 m -91.03 -30.11 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.516 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.58 -33.68 71.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 32.8 t -102.98 5.19 38.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.755 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.742 ' HE3' ' HA ' ' A' 1533 ' ' THR . 38.0 ttmt -61.18 137.48 94.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.739 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.22 -52.56 8.53 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.676 2.251 . . . . 0.0 112.865 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.436 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.7 pt-20 -59.6 -28.62 67.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.055 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.614 HD12 ' HA2' ' A' 1603 ' ' GLY . 45.3 mm -84.71 144.36 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.424 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -114.82 -67.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.694 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.933 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.0 p90 -93.13 157.82 16.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.29 0.567 . . . . 0.0 112.186 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -149.84 99.95 2.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.468 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.673 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.5 OUTLIER -152.38 179.46 8.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.046 0.451 . . . . 0.0 112.089 -178.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.649 ' NZ ' ' HB3' ' A' 1564 ' ' LEU . 22.8 pttp -115.97 141.23 48.39 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.751 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.925 HG12 ' HA ' ' A' 1563 ' ' LEU . 10.6 m -138.88 177.14 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.293 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.463 ' CB ' HD11 ' A' 1564 ' ' LEU . 18.2 t -146.1 129.91 17.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.633 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.2 mm -67.52 131.0 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.788 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . 0.477 ' O ' ' HE2' ' A' 1595 ' ' LYS . 5.4 t -132.95 -10.66 3.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.548 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.871 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 56.3 m -150.11 138.71 20.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.861 0.362 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.3 mt -135.46 117.65 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.009 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 93.2 m -103.53 103.38 13.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.269 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.2 p -105.69 126.79 60.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.72 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -114.82 -67.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -166.33 -62.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.502 HG12 HG11 ' A' 1586 ' ' VAL . 4.9 m -107.57 -49.21 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.299 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.42 ' N ' HG23 ' A' 1555 ' ' VAL . 10.5 m-85 -95.43 113.21 24.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.657 HG13 ' HB3' ' A' 1584 ' ' LYS . 7.1 p -114.6 140.39 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.738 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 31.1 mttp -120.39 159.92 24.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.094 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.606 ' HE1' ' HE2' ' A' 1584 ' ' LYS . 89.8 m-85 -134.6 109.1 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.871 ' HB2' ' HB2' ' A' 1549 ' ' SER . 3.2 mmmp? -88.27 98.77 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.226 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -105.76 169.68 8.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 111.663 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 7.2 m -115.59 129.68 56.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.997 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.925 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.9 tp -73.2 95.27 2.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.649 ' HB3' ' NZ ' ' A' 1544 ' ' LYS . 9.0 mp -49.81 -50.88 43.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.578 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.615 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.6 t70 -166.25 152.52 9.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.795 HG12 HD21 ' A' 1563 ' ' LEU . 55.0 mt -99.5 123.08 52.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.942 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.552 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 84.0 m-85 -99.87 -20.73 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.449 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 2.7 tmtp? -154.66 123.13 6.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.303 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . 0.488 HG22 ' H ' ' A' 1571 ' ' GLU . 4.6 m -46.11 155.73 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.202 0.525 . . . . 0.0 111.897 -178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.933 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -93.2 0.69 69.11 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.014 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.488 ' H ' HG22 ' A' 1569 ' ' THR . 44.2 mt-10 58.04 8.54 0.77 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.035 0.445 . . . . 0.0 110.7 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -152.38 71.22 0.94 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.224 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 94.1 t 56.33 80.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.412 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.559 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -108.9 125.06 51.61 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.09 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' 1563 ' ' LEU . 41.0 mt-10 -135.06 146.35 48.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.915 0.388 . . . . 0.0 111.352 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.63 144.21 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.043 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.619 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.4 p30 46.93 32.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 61.2 p -70.61 -165.97 0.13 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -120.13 136.02 54.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.421 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.612 HD12 ' HE1' ' A' 1582 ' ' PHE . 20.8 pt -139.23 145.09 27.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 0.0 111.723 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 16.3 m -125.48 138.06 53.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.647 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.612 ' HE1' HD12 ' A' 1580 ' ' ILE . 48.5 m-85 -123.91 120.48 32.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.337 0.589 . . . . 0.0 111.504 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . . . . . . . . . 15.6 mm -89.31 152.49 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.723 ' HB2' HD12 ' A' 1621 ' ' LEU . 10.9 ttmm -146.45 146.42 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.078 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' A' 1584 ' ' LYS . 30.7 mmtp -100.2 179.19 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.705 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.502 HG11 HG12 ' A' 1555 ' ' VAL . 22.3 m -74.43 -22.01 17.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.276 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.6 p -72.55 -37.99 68.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.279 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.628 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.7 m -67.93 86.54 0.24 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.807 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 57.1 m -100.13 -33.17 10.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.408 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 3.0 t-20 -68.99 -20.5 64.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.662 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.482 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -90.84 126.64 36.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.73 137.1 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.48 HD22 HD11 ' A' 1547 ' ' ILE . 1.8 mp -120.91 169.97 9.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 62.1 t -123.81 140.5 47.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.477 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.9 tttm -75.61 110.14 9.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 123.92 -35.73 3.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.626 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -74.22 167.63 21.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.06 0.457 . . . . 0.0 111.285 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -112.14 144.37 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.741 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -141.19 142.23 34.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.299 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' 1627 ' ' ILE . 48.4 tp -87.67 133.16 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.072 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . . . . . . . . . 70.8 mt -130.85 130.77 64.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.09 0.471 . . . . 0.0 112.063 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.517 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 30.6 mtm -145.21 129.25 17.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.867 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.614 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -179.06 175.31 47.19 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.18 -1.01 . . . . 0.0 113.154 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' A' 1604 ' ' LYS . 0.0 OUTLIER -52.61 164.96 0.3 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.893 0.378 . . . . 0.0 111.435 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -59.08 154.01 16.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.48 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -60.75 169.08 1.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.529 HD13 HG13 ' A' 1618 ' ' ILE . 7.5 mp -61.86 -177.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -157.7 93.42 1.27 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.399 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.739 HG21 ' HE ' ' A' 1616 ' ' ARG . 11.1 tp -88.86 -29.05 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.327 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.485 ' HB2' ' HA ' ' A' 1615 ' ' PHE . 34.6 mmtp -145.51 -175.94 4.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . 0.402 ' O ' ' HB3' ' A' 1615 ' ' PHE . 91.6 m-85 -91.96 -70.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . 0.449 ' HA ' ' CD1' ' A' 1615 ' ' PHE . 88.4 m-20 -140.65 -34.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.04 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -55.4 -33.01 63.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.644 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . 0.484 ' HB2' ' HG3' ' A' 1610 ' ' LYS . 69.3 m -160.57 33.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.362 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.485 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 20.2 p90 -58.63 137.2 57.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.739 ' HE ' HG21 ' A' 1609 ' ' ILE . 82.5 mtm180 -130.24 83.02 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.998 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -79.6 76.77 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.75 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.529 HG13 HD13 ' A' 1607 ' ' LEU . 42.2 pt -89.7 173.53 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.789 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' A' 1582 ' ' PHE . 50.6 m-85 -128.65 131.06 23.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.424 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -75.14 179.31 6.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.562 2.175 . . . . 0.0 112.135 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.723 HD12 ' HB2' ' A' 1584 ' ' LYS . 32.7 mt -133.24 23.65 4.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -175.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.1 p -71.83 -20.0 61.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.458 ' O ' HD23 ' A' 1624 ' ' LEU . 3.5 tt -63.52 -49.05 75.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.56 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.401 ' O ' HG13 ' A' 1627 ' ' ILE . 44.0 m -53.57 101.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.472 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -62.92 105.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.544 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.7 mt -124.09 136.59 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.351 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.503 ' HG2' ' HG3' ' A' 1518 ' ' GLN . 46.9 mt-10 -135.44 155.89 49.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.723 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.474 ' O ' ' HD3' ' A' 1631 ' ' PRO . 13.2 t80 -86.35 115.81 24.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.453 ' CD2' HD13 ' A' 1646 ' ' LEU . 3.1 t-105 -98.82 103.31 18.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.131 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.62 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 63.6 Cg_exo -51.07 99.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.455 2.103 . . . . 0.0 112.314 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.99 -24.36 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -110.01 128.01 55.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.839 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.5 p -93.86 -23.58 18.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 6.8 p 72.15 -37.31 0.39 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.125 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.485 ' HB2' ' O ' ' A' 1639 ' ' CYS . 73.6 m -143.82 177.75 8.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 111.036 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 49.9 m -110.29 -25.53 10.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.697 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 49.0 m -96.12 -26.64 15.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.485 ' O ' ' HB2' ' A' 1636 ' ' CYS . 53.5 t -128.78 127.94 42.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.847 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 6.3 mm100 -114.53 -108.39 0.37 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.834 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' 1640 ' ' GLN . . . 165.91 -75.54 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.62 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 43.9 t80 -108.45 -6.74 16.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.847 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.9 mm? -77.18 -6.23 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.085 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -78.98 -39.39 34.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.289 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -86.05 -7.18 58.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.586 HD12 HD13 ' A' 1643 ' ' LEU . 94.7 mt -93.65 -30.34 14.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.75 -44.45 64.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.79 -39.03 87.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.494 ' O ' HG22 ' A' 1653 ' ' ILE . 88.7 t80 -65.75 -22.66 66.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -72.18 -59.05 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.369 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.07 -31.99 72.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.398 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.26 -65.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.585 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.614 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.9 tp -61.46 -32.56 53.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.787 0.327 . . . . 0.0 111.594 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 45.8 t80 -71.55 -36.55 70.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.402 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 95.4 mt -97.66 -69.71 0.75 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.316 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.693 HD22 ' N ' ' A' 1656 ' ' ASN . 0.7 OUTLIER -59.06 -71.03 0.13 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.106 -179.513 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.532 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.05 149.11 1.5 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.898 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.3 t -121.2 -7.58 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.701 0.286 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -147.81 115.05 6.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 25.6 ptt? -135.9 -35.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -145.03 142.21 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.789 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' 1514 ' ' CYS . 4.2 p-10 -86.43 -17.57 33.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.403 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' 1513 ' ' ASP . 4.4 p 38.01 -140.8 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' A' 1517 ' ' MET . . . -66.18 75.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.248 -0.977 . . . . 0.0 111.343 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -49.52 126.96 14.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.719 0.295 . . . . 0.0 111.309 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.474 ' HG3' ' O ' ' A' 1515 ' ' GLY . 43.9 mtm -132.16 134.9 45.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.844 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . 0.408 ' NE2' ' N ' ' A' 1518 ' ' GLN . 1.6 mp0 -65.7 173.84 2.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.876 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 46.6 mt-10 -67.95 -177.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . 0.621 ' HA ' ' HB3' ' A' 1629 ' ' TYR . 1.9 mp0 -89.97 -76.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.062 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.508 ' O ' ' HG ' ' A' 1523 ' ' LEU . 95.3 mt -85.98 31.45 0.63 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.223 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.876 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 19.1 t70 -58.81 106.01 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.784 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' 1521 ' ' LEU . 75.6 mt -104.31 96.04 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.4 t -173.3 -16.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.562 ' HB ' HH21 ' A' 1530 ' ' ARG . 65.3 mt -83.2 137.83 20.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.8 t -81.71 165.99 20.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -78.7 -17.61 55.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.5 mt-10 -91.99 -50.18 5.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.6 m -57.38 -33.75 68.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.562 HH21 ' HB ' ' A' 1525 ' ' ILE . 41.8 ttm180 -74.64 -26.15 59.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.74 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.5 ' HG3' ' OD1' ' A' 1652 ' ' ASP . 9.0 tmtm? -82.4 -31.08 29.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.77 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.0 mt-30 -57.6 -16.51 10.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.667 ' HA ' ' HB2' ' A' 1536 ' ' LYS . 60.5 m -87.61 -35.61 17.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.793 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.98 -25.83 65.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.9 t -116.89 5.06 12.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.566 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.801 ' HB3' HD13 ' A' 1539 ' ' ILE . 23.4 ttmm -61.97 141.62 95.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.556 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.54 -48.68 19.3 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.681 2.254 . . . . 0.0 113.025 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.596 ' HG3' HD12 ' A' 1539 ' ' ILE . 3.6 pt-20 -67.86 -5.85 18.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.636 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.893 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.4 mp -113.3 129.35 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.743 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -95.53 -63.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.439 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.525 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 6.1 p90 -102.85 159.8 15.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.604 . . . . 0.0 112.007 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.503 ' HB3' ' CB ' ' A' 1568 ' ' LYS . . . -149.46 93.62 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.689 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.694 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 1.3 p90 -143.16 -177.92 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.062 0.458 . . . . 0.0 112.023 -178.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 53.2 tttm -120.31 131.51 54.91 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.854 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.7 m -129.88 -175.56 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.272 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.453 ' CB ' HD21 ' A' 1564 ' ' LEU . 22.9 t -151.56 136.13 17.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.61 HD13 ' HB2' ' A' 1561 ' ' ALA . 40.8 mm -72.73 127.21 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.72 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 67.1 p -118.6 -28.84 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.448 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.679 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 41.7 t -141.52 154.95 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.962 0.411 . . . . 0.0 111.263 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 81.9 mt -143.16 116.28 3.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.8 m -108.06 121.95 45.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 26.0 t -112.53 124.36 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -103.58 -79.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -147.79 -72.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 23.2 t -102.49 -40.48 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.57 117.34 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' 1583 ' ' ILE . 45.1 t -101.65 134.44 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.758 ' HG3' HG22 ' A' 1583 ' ' ILE . 3.7 mptp? -98.95 153.02 19.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.774 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' 1593 ' ' LEU . 94.7 m-85 -140.01 113.26 8.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.006 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.679 ' HB2' ' HB3' ' A' 1549 ' ' SER . 35.2 mmtp -94.39 118.37 31.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.462 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.61 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -130.76 149.09 52.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.988 0.423 . . . . 0.0 111.475 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.8 m -99.27 137.74 37.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.117 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.854 ' HA ' HG12 ' A' 1545 ' ' VAL . 12.7 tp -81.06 101.07 9.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.373 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' 1546 ' ' SER . 4.0 mm? -60.39 -43.23 96.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.505 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' A' 1543 ' ' TYR . 13.0 t70 -166.94 158.66 12.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.171 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.767 HG12 HD21 ' A' 1563 ' ' LEU . 54.4 mt -109.92 131.22 61.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.836 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.694 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 93.0 m-85 -106.41 -16.12 14.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.503 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 10.8 tmtt? -158.25 110.28 2.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.359 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 31.8 m -42.23 146.51 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.231 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.811 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -103.82 136.41 12.95 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.498 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.39 -27.56 67.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.534 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.854 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -86.94 44.39 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.526 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.7 t 57.33 87.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.104 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.811 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -118.39 124.13 46.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.621 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.472 ' O ' HD23 ' A' 1563 ' ' LEU . 24.7 mm-40 -133.63 150.58 51.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.293 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -53.33 122.14 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.794 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.621 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 60.24 66.13 1.0 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.139 0.495 . . . . 0.0 110.691 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.681 ' H ' ' HB3' ' A' 1563 ' ' LEU . 41.9 p -109.54 -167.21 1.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.714 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -124.07 117.18 24.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.559 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.72 HD11 HG11 ' A' 1545 ' ' VAL . 12.1 pt -127.39 141.03 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.483 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 15.8 m -115.38 140.4 49.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.971 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.649 ' HD2' ' HB2' ' A' 1621 ' ' LEU . 51.3 m-85 -127.16 121.84 32.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.758 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.8 pt -115.99 143.33 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.408 ' HE2' ' CE2' ' A' 1559 ' ' TYR . 64.3 pttt -151.95 -175.35 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.977 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.514 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.7 mptp? -87.05 155.97 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.2 p -85.61 -15.41 10.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 76.3 p -81.2 9.06 7.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.365 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.612 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 11.2 t -63.17 123.99 20.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.581 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 15.1 m -114.95 59.44 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.605 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 3.3 p30 176.99 -31.22 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.253 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.612 ' HB3' ' SG ' ' A' 1588 ' ' CYS . . . -105.69 127.59 53.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 111.563 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -144.94 85.43 1.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.584 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.494 HD12 HD11 ' A' 1547 ' ' ILE . 1.3 mm? -55.37 123.08 12.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.694 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 60.1 t -102.35 133.61 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.67 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.1 ttmt -76.25 127.16 32.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 101.57 0.71 53.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.658 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.694 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 87.8 mtt180 -106.53 164.66 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.952 0.406 . . . . 0.0 111.378 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -112.74 137.13 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -136.59 147.66 47.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.08 0.467 . . . . 0.0 111.393 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' 1543 ' ' TYR . 59.3 tp -95.26 124.55 39.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.114 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.489 HG22 ' HE1' ' A' 1541 ' ' TYR . 59.6 mt -112.57 128.97 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.092 0.472 . . . . 0.0 111.807 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.418 ' HE2' ' HB ' ' A' 1533 ' ' THR . 71.0 mtp -145.54 109.4 4.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.095 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.893 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -177.62 -178.09 46.94 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.364 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.9 tppp? -57.97 161.18 4.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.883 0.373 . . . . 0.0 111.135 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.854 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.2 pt-20 -66.17 -179.64 0.8 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.964 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -99.25 164.29 12.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.549 ' H ' HD23 ' A' 1607 ' ' LEU . 1.5 pt? -130.26 139.7 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.849 ' HB3' ' HD1' ' A' 1617 ' ' TYR . 56.9 tp60 -167.57 -94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.039 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.763 ' HA ' ' H ' ' A' 1615 ' ' PHE . 29.6 pt 35.01 44.02 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.051 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.404 ' HB3' ' CG ' ' A' 1615 ' ' PHE . 23.7 tptm -43.72 -83.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.756 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . 0.547 ' N ' ' HB2' ' A' 1615 ' ' PHE . 87.0 m-85 -89.7 151.94 21.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 66.2 t30 59.9 179.57 0.09 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.581 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -61.78 -15.68 43.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.171 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 67.6 m -163.13 106.41 1.03 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.763 ' H ' ' HA ' ' A' 1609 ' ' ILE . 88.6 t80 -92.76 -69.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.056 0.455 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.662 HH21 HD13 ' A' 1618 ' ' ILE . 34.6 ttp180 -142.79 -150.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.836 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.849 ' HD1' ' HB3' ' A' 1608 ' ' GLN . 0.1 OUTLIER -174.09 93.91 0.09 Allowed 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.884 0.374 . . . . 0.0 111.095 179.443 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.662 HD13 HH21 ' A' 1616 ' ' ARG . 32.5 pt -116.29 123.75 71.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.635 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.467 ' HD1' ' H ' ' A' 1619 ' ' TYR . 0.8 OUTLIER -69.19 121.42 81.84 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.884 -179.354 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . 0.5 ' HG3' HD21 ' A' 1607 ' ' LEU . 38.4 Cg_endo -65.75 -24.11 55.02 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.722 2.281 . . . . 0.0 112.758 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.795 HD11 HD11 ' A' 1627 ' ' ILE . 55.4 tp 51.87 86.53 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -108.86 -177.57 3.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 65.9 p -67.68 -11.76 58.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.8 -33.75 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.505 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.502 ' O ' HG13 ' A' 1627 ' ' ILE . 60.3 m -60.28 98.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.087 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 61.0 t-105 -58.33 103.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.795 HD11 HD11 ' A' 1621 ' ' LEU . 84.3 mt -109.87 131.31 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -138.12 119.3 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.013 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.621 ' HB3' ' HA ' ' A' 1520 ' ' GLU . 80.7 t80 -57.28 136.06 56.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -101.47 102.04 20.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.477 ' HB2' HD21 ' A' 1643 ' ' LEU . 50.4 Cg_exo -54.16 111.44 0.71 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.582 2.188 . . . . 0.0 112.406 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -87.95 -24.8 23.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.31 113.72 17.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 67.0 p -133.66 -24.7 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 67.3 p -127.07 -3.42 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 82.5 m -86.97 -66.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 80.2 p -103.54 13.27 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 53.9 m 60.06 97.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 53.6 t -160.96 105.05 1.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -136.1 6.62 3.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.8 -21.0 66.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 39.0 t80 -96.76 -42.89 7.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.488 ' H ' HD22 ' A' 1643 ' ' LEU . 2.9 mm? -65.43 -18.88 65.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -68.62 -54.85 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -75.22 -21.22 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.71 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 56.5 tp -78.96 -29.4 43.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.714 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.0 -34.29 78.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -66.05 -17.07 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.511 ' O ' HG22 ' A' 1653 ' ' ILE . 85.7 t80 -89.56 -24.69 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -57.96 -72.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.374 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.97 -27.16 61.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.5 ' OD1' ' HG3' ' A' 1531 ' ' LYS . 14.8 t70 -60.21 -68.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.28 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.524 HG12 ' HB3' ' A' 1567 ' ' TYR . 8.5 tp -67.97 -25.39 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.422 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 39.1 t80 -73.95 -36.53 64.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.534 HD12 ' ND2' ' A' 1656 ' ' ASN . 2.5 tm? -105.57 -71.54 0.74 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.711 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.534 ' ND2' HD12 ' A' 1655 ' ' LEU . 19.5 m-80 -82.41 26.35 0.56 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.009 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.495 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -62.49 178.16 5.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.059 -0.591 . . . . 0.0 113.145 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.909 -179.873 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 53.4 m -145.79 -55.21 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.326 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 64.7 m80 -133.23 109.75 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 93.4 mmm 60.99 106.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.287 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -134.53 132.7 39.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.894 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.483 ' OD2' ' HB3' ' A' 1623 ' ' SER . 4.0 p-10 -73.75 -3.62 29.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.241 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' 1516 ' ' GLN . 29.7 p 41.8 -145.75 0.05 OUTLIER 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -61.34 76.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.207 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' 1514 ' ' CYS . 65.1 tt0 -51.7 104.59 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.802 0.334 . . . . 0.0 110.97 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 64.4 mtt -86.3 140.5 30.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -84.17 176.87 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.03 171.49 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.34 145.94 45.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' 1521 ' ' LEU . 0.2 OUTLIER 59.67 14.53 4.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.217 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.537 ' OD2' HG13 ' A' 1525 ' ' ILE . 37.5 t70 -63.85 101.21 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.283 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.441 HD23 ' HD1' ' A' 1642 ' ' PHE . 21.9 mt -86.01 28.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.509 -179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 64.2 p -116.97 9.45 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.62 0.248 . . . . 0.0 111.345 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.537 HG13 ' OD2' ' A' 1522 ' ' ASP . 76.4 mt -104.45 137.73 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.997 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 48.7 m -84.61 -176.01 6.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -87.65 -32.35 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.167 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' 1532 ' ' GLN . 15.4 mm-40 -84.33 -24.95 29.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 71.4 m -61.89 -34.46 76.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.531 ' NH2' ' HG2' ' A' 1628 ' ' GLU . 13.0 ptm180 -102.0 2.12 37.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.693 ' HE3' HG13 ' A' 1653 ' ' ILE . 19.2 tptm -98.22 -37.19 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' 1528 ' ' GLU . 80.4 mt-30 -54.2 -27.63 35.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.43 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.714 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 85.4 m -66.68 -41.46 88.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.713 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -67.44 -11.07 56.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.8 t -104.67 -7.85 19.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.714 ' HE2' ' HA ' ' A' 1533 ' ' THR . 52.2 mtmt -71.86 150.51 92.95 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.96 -27.18 30.65 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.564 2.176 . . . . 0.0 112.182 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.0 -12.39 60.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.739 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.661 HD12 ' HA2' ' A' 1603 ' ' GLY . 40.6 mm -111.48 153.58 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.693 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.501 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -128.52 -66.13 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.7 -179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.834 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.7 p90 -98.11 156.82 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.382 0.611 . . . . 0.0 112.291 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' 1568 ' ' LYS . . . -150.33 100.45 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.585 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' A' 1565 ' ' ASP . 9.6 p90 -144.9 174.76 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.111 0.482 . . . . 0.0 111.79 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -114.98 139.17 50.05 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.118 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.878 HG12 ' HA ' ' A' 1563 ' ' LEU . 15.3 m -138.86 -179.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.639 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 11.2 t -144.12 122.66 12.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.701 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.562 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.1 mm -61.75 141.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.838 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 68.9 p -135.17 -33.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.626 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 36.9 t -130.23 155.56 46.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.09 0.471 . . . . 0.0 111.402 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.461 HG12 ' HD1' ' A' 1559 ' ' TYR . 86.8 mt -143.22 115.47 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 73.3 m -117.75 124.36 48.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.717 HG23 HG22 ' A' 1557 ' ' VAL . 5.7 p -136.28 136.98 48.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -101.94 -72.21 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 18.0 m120 -143.79 -72.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.483 ' HB ' ' HB ' ' A' 1586 ' ' VAL . 6.8 m -99.49 -51.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.454 ' N ' HG23 ' A' 1555 ' ' VAL . 63.2 m-85 -82.46 130.27 35.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.846 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.717 HG22 HG23 ' A' 1552 ' ' VAL . 40.8 t -113.76 151.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.417 ' CB ' HG22 ' A' 1583 ' ' ILE . 35.6 mttp -137.15 107.56 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.461 ' HD1' HG12 ' A' 1550 ' ' ILE . 96.2 m-85 -93.91 146.12 24.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.714 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 62.4 mttm -128.86 133.07 47.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.492 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.562 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -141.83 173.1 11.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.982 0.42 . . . . 0.0 111.577 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.3 m -110.11 134.34 52.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.784 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.878 ' HA ' HG12 ' A' 1545 ' ' VAL . 22.6 tp -72.69 122.13 20.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.081 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.9 mp -81.2 -42.0 21.46 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.337 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.0 t70 -168.02 155.1 8.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.732 0.301 . . . . 0.0 111.498 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.56 HG12 HD21 ' A' 1563 ' ' LEU . 16.2 mm -103.54 125.49 58.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.561 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.462 ' HB2' ' O ' ' A' 1542 ' ' ALA . 45.4 m-85 -106.19 -21.57 13.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.411 0.624 . . . . 0.0 109.588 178.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.501 ' HD2' ' O ' ' A' 1540 ' ' ALA . 3.4 tmtp? -151.21 118.88 6.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.13 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . 0.587 HG22 ' H ' ' A' 1571 ' ' GLU . 2.9 m -46.44 151.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.115 0.483 . . . . 0.0 112.045 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.834 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -95.6 -4.96 60.4 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.905 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.587 ' H ' HG22 ' A' 1569 ' ' THR . 44.7 mt-10 74.49 -44.29 0.55 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.492 0.317 . . . . 0.0 110.91 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -87.8 48.75 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.492 . . . . 0.0 110.106 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 76.0 t 60.65 82.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.971 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.695 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -117.39 129.57 55.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.362 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.599 ' O ' HD23 ' A' 1563 ' ' LEU . 45.4 mt-10 -145.22 138.47 26.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.888 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 9.0 ptpp? -47.83 142.75 4.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.617 ' HA ' ' O ' ' A' 1563 ' ' LEU . 10.9 t70 71.37 31.53 2.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.419 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.664 ' H ' ' HB3' ' A' 1563 ' ' LEU . 4.4 m -92.87 -171.2 2.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -109.95 142.51 41.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.625 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.733 HD12 ' HE2' ' A' 1582 ' ' PHE . 32.1 pt -141.22 149.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.554 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 32.2 m -140.69 103.5 4.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.82 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.733 ' HE2' HD12 ' A' 1580 ' ' ILE . 89.4 m-85 -95.43 109.3 21.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.216 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.417 HG22 ' CB ' ' A' 1558 ' ' LYS . 41.5 pt -100.33 144.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.671 ' HB3' HD23 ' A' 1621 ' ' LEU . 65.4 pttt -129.65 175.09 9.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' 1585 ' ' LYS . 12.0 mptt -97.89 -175.23 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.483 ' HB ' ' HB ' ' A' 1555 ' ' VAL . 8.0 p -85.04 -27.93 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.056 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.0 p -83.09 7.52 15.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.473 ' C ' ' H ' ' A' 1590 ' ' ASN . 41.3 t -69.79 -95.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 38.7 m 71.51 -27.18 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.73 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' 1588 ' ' CYS . 16.9 m120 -79.42 -26.51 41.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.829 0.347 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' 1515 ' ' GLY . . . -113.14 101.32 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -125.92 109.83 12.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.445 ' HB3' HG13 ' A' 1547 ' ' ILE . 90.1 mt -79.88 120.48 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 88.7 t -84.22 127.77 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -67.48 141.94 56.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 71.38 36.24 63.19 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.376 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.603 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 35.5 ttm180 -142.34 153.69 44.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.717 0.294 . . . . 0.0 110.646 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -98.48 136.56 38.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 0.0 111.496 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.511 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 80.7 m-85 -138.77 159.38 42.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.789 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' 1543 ' ' TYR . 44.6 tp -108.82 124.39 50.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.564 HD13 HG22 ' A' 1545 ' ' VAL . 2.4 mp -113.88 129.19 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.481 . . . . 0.0 111.618 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.618 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 77.1 mtp -142.32 111.47 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.923 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.661 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -167.28 178.72 41.26 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 119.825 -1.178 . . . . 0.0 113.789 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.654 ' HD3' ' N ' ' A' 1605 ' ' GLU . 7.2 tmtm? -56.55 156.19 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 111.167 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.654 ' N ' ' HD3' ' A' 1604 ' ' LYS . 39.4 tt0 -52.95 150.95 5.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.229 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -71.74 146.45 48.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.984 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.0 mt -68.98 130.9 44.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.807 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -80.5 -7.96 59.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.769 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.669 HG22 ' HD1' ' A' 1615 ' ' PHE . 21.2 pt -115.97 96.51 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.419 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.671 ' H ' ' H ' ' A' 1616 ' ' ARG . 39.8 ttpt -62.4 -19.95 63.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.807 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 37.2 p90 44.14 21.8 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.412 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . 0.625 ' HB2' ' HE3' ' A' 1610 ' ' LYS . 10.8 m120 -101.52 -38.57 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.913 0.387 . . . . 0.0 110.718 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -163.38 -20.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.668 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.9 t -168.15 144.49 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.458 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.669 ' HD1' HG22 ' A' 1609 ' ' ILE . 18.8 m-85 -53.39 99.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.826 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.671 ' H ' ' H ' ' A' 1610 ' ' LYS . 16.9 mmt180 -124.56 162.67 23.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -98.83 90.61 4.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 2.7 pp -106.27 152.4 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.601 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' 1582 ' ' PHE . 61.8 m-85 -101.06 123.34 45.45 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.297 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.86 -175.58 2.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.628 2.218 . . . . 0.0 112.234 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.671 HD23 ' HB3' ' A' 1584 ' ' LYS . 32.8 tp -154.9 96.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.558 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.1 m-20 -142.7 -174.04 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.483 ' HB3' ' OD2' ' A' 1513 ' ' ASP . 78.7 p -58.39 -22.76 55.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.6 -29.2 66.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.599 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 54.8 m -74.29 134.67 42.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.294 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.618 ' HB3' ' HB2' ' A' 1602 ' ' MET . 46.2 t-105 -99.07 106.04 18.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.528 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.5 mm -107.89 126.6 64.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.531 ' HG2' ' NH2' ' A' 1530 ' ' ARG . 10.0 tp10 -135.76 117.44 14.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.603 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 58.1 t80 -55.51 126.26 24.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.015 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.406 ' CE2' HD13 ' A' 1646 ' ' LEU . 20.4 t-105 -95.67 112.19 58.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.12 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.845 ' HG3' ' HB3' ' A' 1642 ' ' PHE . 10.8 Cg_endo -53.28 100.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.699 2.266 . . . . 0.0 112.393 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -60.88 -27.34 68.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.769 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -140.25 -169.53 2.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.004 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.646 ' OG1' ' HA ' ' A' 1639 ' ' CYS . 73.3 p -138.8 -72.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 5.2 t 175.35 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.513 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' 1638 ' ' SER . 29.4 p -118.68 -169.36 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.806 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 54.2 m -89.38 -1.13 57.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.014 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . 0.425 ' HB2' ' SG ' ' A' 1636 ' ' CYS . 52.4 m -92.28 -14.13 29.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.05 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.646 ' HA ' ' OG1' ' A' 1634 ' ' THR . 26.5 p 40.92 90.5 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.732 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.524 ' N ' HG21 ' A' 1634 ' ' THR . 0.2 OUTLIER -146.48 7.16 0.98 Allowed 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.366 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . 0.406 ' H ' ' CG2' ' A' 1634 ' ' THR . . . -49.98 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.79 0.329 . . . . 0.0 111.378 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.845 ' HB3' ' HG3' ' A' 1631 ' ' PRO . 74.7 t80 -105.93 -14.97 15.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.083 0.468 . . . . 0.0 110.182 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.582 HD23 ' HG2' ' A' 1631 ' ' PRO . 20.2 mt -63.85 -21.1 66.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.717 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.51 77.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.787 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -84.18 -21.27 31.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.463 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.565 HD12 HD23 ' A' 1643 ' ' LEU . 89.6 mt -77.78 -31.59 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.704 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.48 -36.03 81.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.581 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -66.7 -56.62 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.714 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.53 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 86.1 t80 -55.81 -27.41 51.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.897 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -54.5 -63.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.162 0.506 . . . . 0.0 111.388 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.54 -1.97 56.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.39 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.53 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 15.9 t70 -84.72 -27.64 26.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.996 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.693 HG13 ' HE3' ' A' 1531 ' ' LYS . 20.0 tt -102.2 -27.28 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.035 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 46.1 t80 -76.43 -48.93 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.82 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 39.4 tp -71.72 -31.64 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.643 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -94.29 -78.02 0.45 Allowed 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.104 -179.672 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.93 49.93 5.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.658 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 18.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.318 -0.849 . . . . 0.0 111.192 179.906 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.7 t -152.63 119.32 5.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 46.5 t60 -156.35 -32.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 64.7 mtt -74.98 -176.37 2.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -131.84 167.09 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -100.05 -74.5 0.6 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.996 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.492 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 39.3 t 48.91 83.69 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.453 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 127.97 -51.89 0.84 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.842 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 47.99 88.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.521 -0.34 . . . . 0.0 111.38 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.56 ' HE1' ' H ' ' A' 1592 ' ' GLU . 12.1 ptp -99.69 173.37 6.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.965 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -104.77 176.37 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.48 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 14.4 mm-40 -62.83 148.17 47.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -64.27 -75.69 0.08 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.277 0.56 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' 1521 ' ' LEU . 0.4 OUTLIER -121.25 93.41 4.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.925 -179.35 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.48 ' OD1' ' HB3' ' A' 1519 ' ' GLU . 4.0 m-20 -145.34 113.81 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.663 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.459 HD11 ' HB1' ' A' 1641 ' ' ALA . 28.9 mt -79.85 100.42 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.987 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . 0.414 ' H ' ' H ' ' A' 1525 ' ' ILE . 7.6 t -170.23 -18.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.414 ' H ' ' H ' ' A' 1524 ' ' THR . 60.0 mt -92.64 125.08 45.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . 0.47 ' HB2' ' OG1' ' A' 1529 ' ' THR . 68.7 m -81.68 161.56 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -59.07 -55.76 30.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.702 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -59.38 -28.97 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.154 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . 0.47 ' OG1' ' HB2' ' A' 1526 ' ' SER . 87.8 m -59.66 -37.09 77.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.43 ' NH2' HD23 ' A' 1646 ' ' LEU . 56.0 mtm180 -83.24 -40.2 19.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' A' 1658 ' ' CYS . 88.9 tttt -65.35 -22.02 66.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.761 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -55.66 -20.35 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.693 HG22 HG13 ' A' 1539 ' ' ILE . 95.5 m -101.65 -27.42 13.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.597 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.517 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -71.14 2.0 5.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.649 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.7 t -129.89 17.1 5.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 111.286 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.2 mtmt -94.65 152.09 39.63 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.94 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.27 -44.53 48.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.717 2.278 . . . . 0.0 112.57 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' 1539 ' ' ILE . 11.0 pt-20 -59.5 -22.72 62.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.693 HG13 HG22 ' A' 1533 ' ' THR . 33.6 mm -103.17 111.46 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.11 -58.62 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.447 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.454 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.3 p90 -106.76 159.73 16.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.055 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.687 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -148.71 102.37 3.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.404 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.701 ' HB2' HD11 ' A' 1563 ' ' LEU . 1.4 p90 -150.71 177.01 10.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.047 0.451 . . . . 0.0 112.015 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.431 ' HD2' ' OH ' ' A' 1567 ' ' TYR . 10.2 ptmm? -116.91 140.51 49.38 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.34 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.806 HG12 ' HA ' ' A' 1563 ' ' LEU . 5.7 m -134.22 -174.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.845 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 13.6 t -150.73 124.66 9.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.777 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.446 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 45.0 mm -61.82 143.4 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.803 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 69.8 p -133.55 -24.55 1.77 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.539 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.704 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 37.7 t -153.0 159.68 42.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 111.314 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.9 mt -139.45 130.52 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.887 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 87.5 m -140.82 107.91 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.82 HG13 HG22 ' A' 1557 ' ' VAL . 38.9 t -89.68 133.75 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' 1556 ' ' PHE . 13.0 mm-40 -99.45 -168.32 1.59 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . 0.564 HD22 ' N ' ' A' 1554 ' ' ASN . 0.8 OUTLIER -59.77 -41.43 91.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.023 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 39.9 t -135.79 -55.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.29 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' 1553 ' ' GLU . 90.0 m-85 -81.4 105.01 12.24 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.208 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.82 HG22 HG13 ' A' 1552 ' ' VAL . 32.2 t -69.74 145.09 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.76 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.699 ' HE2' HD12 ' A' 1583 ' ' ILE . 35.2 mmtp -119.98 150.76 40.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.115 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.479 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 95.9 m-85 -139.86 125.67 19.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.794 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.704 ' HB3' ' HB3' ' A' 1549 ' ' SER . 0.1 OUTLIER -103.59 131.22 50.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -150.48 -173.9 4.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.372 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.7 m -131.56 131.75 43.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.066 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.806 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.8 tp -76.82 107.41 9.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.482 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' 1545 ' ' VAL . 4.2 mm? -66.48 -58.84 4.4 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.647 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 16.8 t70 -141.53 156.58 45.72 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.366 -0.533 . . . . 0.0 112.097 -178.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.577 ' CD1' HD21 ' A' 1563 ' ' LEU . 16.1 mm -104.26 118.27 51.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.586 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.705 ' HD2' HG21 ' A' 1653 ' ' ILE . 56.0 m-85 -99.94 -13.37 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.687 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 87.3 tttt -164.2 112.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.63 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 55.6 m -44.84 148.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.26 0.552 . . . . 0.0 112.177 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.753 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -106.06 151.84 17.05 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.121 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.74 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 13.6 mm-40 -77.56 -2.85 37.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.882 0.372 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -128.31 80.57 1.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.683 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' 1573 ' ' VAL . 5.5 p 35.27 82.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.784 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.753 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -107.23 124.03 49.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.913 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.723 ' HB3' ' HB3' ' A' 1578 ' ' SER . 29.4 tt0 -134.11 148.4 50.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.688 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.647 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 21.4 ptmt -78.52 48.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.509 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.644 ' HB2' ' O ' ' A' 1576 ' ' LYS . 18.9 t70 164.12 8.82 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.236 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.723 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 28.7 p -72.3 -171.65 0.8 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -101.71 149.77 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.376 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.56 HD12 ' CE2' ' A' 1582 ' ' PHE . 14.7 pt -143.72 145.93 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.041 0.448 . . . . 0.0 111.831 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . 0.401 ' CG2' HG22 ' A' 1618 ' ' ILE . 16.8 m -133.69 99.92 4.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.318 179.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.56 ' CE2' HD12 ' A' 1580 ' ' ILE . 70.7 m-85 -81.54 113.63 19.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.33 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.699 HD12 ' HE2' ' A' 1558 ' ' LYS . 4.9 tt -99.26 111.08 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.047 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.439 ' HB2' HD22 ' A' 1621 ' ' LEU . 35.2 ttpt -111.06 152.22 27.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.68 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.558 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 95.0 mttt -86.56 -179.72 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 9.1 p -91.1 -21.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 79.5 p -74.51 -33.1 62.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.31 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 1.3 m -58.73 107.88 0.57 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 58.5 m -103.65 -25.68 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.096 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -81.44 -25.06 36.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.453 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -92.11 109.21 20.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.27 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . 0.56 ' H ' ' HE1' ' A' 1517 ' ' MET . 43.3 mt-10 -132.07 140.89 49.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.593 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.428 HD11 HD21 ' A' 1621 ' ' LEU . 87.4 mt -126.57 144.07 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.075 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.4 ' CG1' ' HD3' ' A' 1597 ' ' ARG . 46.0 t -110.22 141.41 25.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -78.87 106.6 11.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 121.29 -19.75 8.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.744 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.739 ' HA ' ' HD2' ' A' 1632 ' ' ARG . 10.2 mpt_? -88.52 158.87 18.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.995 0.426 . . . . 0.0 111.443 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -102.03 144.75 30.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.526 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -143.04 157.87 44.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 0.0 111.421 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' 1543 ' ' TYR . 35.5 tp -104.23 120.68 41.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.228 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.575 HD13 HG22 ' A' 1545 ' ' VAL . 2.5 mp -115.34 126.27 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.972 0.415 . . . . 0.0 111.668 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.517 ' SD ' ' HB2' ' A' 1534 ' ' ALA . 25.9 mtm -142.26 118.5 10.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.055 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' 1539 ' ' ILE . . . -175.86 -177.83 45.2 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.185 -1.007 . . . . 0.0 113.317 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -56.55 155.7 7.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.867 0.365 . . . . 0.0 111.004 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.74 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 13.3 pt-20 -57.55 170.05 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.984 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -91.81 116.02 28.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 9.9 mt -90.95 91.87 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.467 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.753 ' HG3' ' H ' ' A' 1618 ' ' ILE . 69.7 mm-40 -144.02 -85.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.024 0.44 . . . . 0.0 110.903 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.433 ' H ' ' HB2' ' A' 1608 ' ' GLN . 20.6 mt 66.73 114.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.335 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.49 ' HA ' ' H ' ' A' 1615 ' ' PHE . 41.0 ttmt -75.44 101.37 4.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.732 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 49.5 t80 -158.37 143.1 16.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 92.5 m-20 62.01 -84.52 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -88.37 0.28 56.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 55.1 m 58.4 93.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.49 ' H ' ' HA ' ' A' 1610 ' ' LYS . 98.1 m-85 -91.01 -48.3 7.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.647 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.486 ' O ' HG12 ' A' 1618 ' ' ILE . 79.2 ttt180 69.33 130.06 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.673 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.527 ' HA ' ' HB2' ' A' 1608 ' ' GLN . 7.8 m-85 -58.85 127.47 32.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.463 0.649 . . . . 0.0 112.183 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.753 ' H ' ' HG3' ' A' 1608 ' ' GLN . 2.0 pt -150.73 100.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.812 179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.406 ' CE1' HG22 ' A' 1580 ' ' ILE . 60.7 m-85 -57.37 108.94 1.42 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.536 -178.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . 0.621 ' HA ' HG23 ' A' 1583 ' ' ILE . 69.4 Cg_endo -74.08 143.97 33.16 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.659 2.24 . . . . 0.0 112.221 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.548 HD11 ' HB3' ' A' 1582 ' ' PHE . 10.2 mp -103.04 93.33 4.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.84 177.17 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.668 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 61.1 p -61.0 -15.13 28.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.008 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.7 pp -94.02 14.66 19.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 62.7 m -109.34 119.91 40.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' A' 1601 ' ' ILE . 53.6 t-105 -82.45 110.47 17.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.69 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.8 mt -126.01 115.39 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -123.85 150.54 44.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 23.3 t80 -83.48 114.01 21.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.443 ' CE2' HD13 ' A' 1646 ' ' LEU . 2.5 t-105 -93.75 115.34 64.98 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.251 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.732 ' HB2' HD11 ' A' 1643 ' ' LEU . 75.9 Cg_exo -49.51 107.23 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.492 2.128 . . . . 0.0 112.432 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.739 ' HD2' ' HA ' ' A' 1597 ' ' ARG . 80.9 mtp180 -50.01 -35.5 24.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.245 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 39.2 t70 -117.05 147.95 41.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.051 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.715 HG22 ' HG ' ' A' 1643 ' ' LEU . 76.4 p -103.05 20.96 16.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.45 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 46.1 p -146.81 78.26 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.97 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 81.8 m -83.82 -75.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.1 t -121.19 -72.24 0.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 52.1 m -69.58 -67.27 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.71 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.476 ' SG ' ' HG3' ' A' 1640 ' ' GLN . 52.1 t -167.28 -89.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.85 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 43.2 mt-30 -131.19 73.52 1.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.629 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' 1523 ' ' LEU . . . -54.24 -72.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 57.7 t80 -81.5 -21.59 38.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.85 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.7 mm? -72.01 -5.92 38.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -80.94 -43.79 19.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -73.25 -11.73 60.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.69 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' 1643 ' ' LEU . 80.1 mt -87.23 -28.7 22.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.775 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -63.73 -39.19 93.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.42 -50.66 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.764 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.468 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 85.4 t80 -62.33 -30.49 71.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.07 89.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.385 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -96.64 -4.38 41.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.8 t70 -89.85 -23.36 21.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.705 HG21 ' HD2' ' A' 1567 ' ' TYR . 9.5 tp -97.13 -18.11 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.041 0.448 . . . . 0.0 110.728 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.8 t80 -93.56 -48.1 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.294 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 45.3 tp -79.36 -54.76 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.646 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -76.92 -74.63 0.23 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.182 -179.53 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 72.88 119.73 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . 0.472 ' HB2' ' HE2' ' A' 1531 ' ' LYS . 42.2 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.087 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 51.7 m -143.46 148.52 36.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.0 m80 -85.3 151.78 23.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 58.5 ttp -141.73 111.47 6.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -148.45 110.88 4.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -105.99 100.39 9.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 5.4 p -101.13 24.5 9.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.268 0.556 . . . . 0.0 110.461 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -173.82 -43.8 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.428 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 58.23 97.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.918 0.389 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.424 ' HE2' ' HA ' ' A' 1591 ' ' ALA . 21.6 ptp -96.11 169.53 9.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . 0.408 ' HB2' ' HG2' ' A' 1628 ' ' GLU . 29.1 mm-40 -98.49 172.42 7.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.76 159.06 26.01 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . 0.679 ' HA ' ' HB3' ' A' 1629 ' ' TYR . 44.6 mt-10 -82.0 -19.33 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.671 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 41.1 mt -150.25 97.79 2.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -137.01 109.78 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.631 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 45.4 mt -86.61 12.46 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.954 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 73.6 p -85.69 -43.53 13.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.3 mt -74.3 134.87 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 62.9 m -92.12 -176.65 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -74.98 -52.81 10.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -67.22 -21.09 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 72.5 m -66.23 -38.66 88.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -97.22 -3.11 41.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.536 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.1 tmtp? -84.54 -34.3 23.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.5 mm-40 -56.36 -21.86 27.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.002 0.43 . . . . 0.0 110.525 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.629 HG23 ' HE2' ' A' 1536 ' ' LYS . 82.6 m -80.66 -30.5 36.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.758 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.422 ' O ' ' HE2' ' A' 1568 ' ' LYS . . . -59.7 -52.71 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.187 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.8 t -85.04 8.46 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.674 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 33.4 ttpt -66.93 137.85 94.9 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.588 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . 0.647 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 9.6 Cg_endo -52.04 -53.25 7.28 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.921 2.414 . . . . 0.0 113.034 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.674 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 11.2 pt-20 -59.75 -18.59 44.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.744 0.307 . . . . 0.0 111.201 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.798 HD12 ' HA2' ' A' 1603 ' ' GLY . 43.3 mm -96.8 140.14 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.842 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -107.56 -67.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.72 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.477 ' HE1' HG22 ' A' 1601 ' ' ILE . 5.4 p90 -103.23 158.69 16.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.182 0.515 . . . . 0.0 111.925 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.646 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -146.9 94.12 2.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.304 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.773 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 5.6 p90 -147.37 168.97 20.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 111.753 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.501 ' HG2' ' HE1' ' A' 1567 ' ' TYR . 23.2 ptmt -103.56 144.07 31.9 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.346 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.896 HG12 ' HA ' ' A' 1563 ' ' LEU . 18.9 m -140.92 -176.3 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.484 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.4 ' CB ' HD11 ' A' 1564 ' ' LEU . 15.1 t -147.83 129.94 15.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.834 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 42.5 mm -63.14 124.45 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.783 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . 0.466 ' O ' ' HE3' ' A' 1595 ' ' LYS . 73.4 p -111.75 -13.18 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.63 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.715 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 35.1 t -169.28 157.83 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.989 0.424 . . . . 0.0 111.321 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.44 HG12 ' HD1' ' A' 1559 ' ' TYR . 76.3 mt -136.34 103.69 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.801 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.8 m -91.59 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.0 p -96.17 132.57 40.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.013 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' 1556 ' ' PHE . 43.8 mt-10 -117.6 -166.51 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.27 -56.31 23.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.143 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 38.6 t -122.66 -45.5 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.381 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' 1553 ' ' GLU . 93.1 m-85 -85.23 168.93 14.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 111.12 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 69.9 t -143.27 144.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.621 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.502 ' HG2' ' CD1' ' A' 1583 ' ' ILE . 87.5 mttt -123.99 109.96 14.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.07 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.586 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 96.4 m-85 -88.5 107.55 18.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.715 ' HB3' ' HB3' ' A' 1549 ' ' SER . 22.3 tptm -84.88 120.31 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.468 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -141.24 163.73 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.053 0.454 . . . . 0.0 111.662 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.6 m -110.65 144.38 39.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.773 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.896 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.3 tt -77.62 119.54 21.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.172 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.572 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.0 mp -74.54 -48.93 24.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.783 0.325 . . . . 0.0 111.03 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.1 t70 -167.86 141.6 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.808 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.773 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.3 mt -96.96 129.95 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.066 0.46 . . . . 0.0 112.119 -179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.501 ' HE1' ' HG2' ' A' 1544 ' ' LYS . 48.3 m-85 -106.1 -15.92 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.125 178.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.646 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 61.7 tttp -153.42 112.49 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.085 -0.962 . . . . 0.0 109.749 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 72.5 m -45.41 146.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.153 0.501 . . . . 0.0 112.033 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.828 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -100.61 131.61 10.63 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.275 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -58.25 -27.95 64.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -88.68 42.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.502 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 71.1 t 56.56 91.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.321 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.828 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -114.63 136.72 52.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.672 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -138.96 149.35 44.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.096 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' 1576 ' ' LYS . 1.7 tmtp? -52.61 119.08 4.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.303 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.699 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 62.83 69.11 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 22.8 t -111.97 -166.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.411 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -110.8 135.92 50.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.697 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.606 HD12 ' HE1' ' A' 1582 ' ' PHE . 18.3 pt -141.38 143.11 28.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.618 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 6.2 m -127.79 105.85 8.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.657 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.606 ' HE1' HD12 ' A' 1580 ' ' ILE . 64.3 m-85 -80.4 104.27 10.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.075 0.464 . . . . 0.0 111.219 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.502 ' CD1' ' HG2' ' A' 1558 ' ' LYS . 1.1 mm -81.97 120.3 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.26 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.586 ' HB2' HD23 ' A' 1621 ' ' LEU . 34.1 ttpt -142.76 157.92 44.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.043 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -91.86 -176.55 4.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.731 179.745 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 13.8 p -100.51 -9.19 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.5 p -71.35 -25.41 62.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.477 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.9 m -60.24 167.99 2.19 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.017 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 28.4 m -154.33 -17.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.748 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' 1517 ' ' MET . 36.0 m-80 -110.06 -13.56 14.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.185 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.424 ' HA ' ' HE2' ' A' 1517 ' ' MET . . . -103.23 39.64 1.54 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.936 0.398 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -100.23 111.18 23.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' 1593 ' ' LEU . 3.4 mp -95.89 158.68 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 49.6 t -104.75 146.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' 1548 ' ' THR . 86.9 tttt -81.58 141.52 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 93.4 -12.69 69.19 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.779 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.697 ' HD3' ' HE2' ' A' 1629 ' ' TYR . 93.0 mtt180 -99.64 171.9 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.432 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.542 ' HG3' ' HD2' ' A' 1632 ' ' ARG . 27.1 mt-30 -111.88 133.46 54.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -135.06 141.62 46.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.314 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 61.0 tp -78.29 140.44 38.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.149 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.477 HG22 ' HE1' ' A' 1541 ' ' TYR . 47.9 mm -128.93 121.4 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.105 0.478 . . . . 0.0 111.755 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.413 ' O ' ' HB3' ' A' 1626 ' ' TRP . 74.0 mtp -145.68 109.0 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.001 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.798 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -174.69 -172.94 40.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 119.875 -1.155 . . . . 0.0 113.646 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.475 ' HZ3' ' HG2' ' A' 1605 ' ' GLU . 27.8 tptp -53.44 157.37 2.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.45 -0.375 . . . . 0.0 111.277 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.623 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.7 pt-20 -71.22 -174.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.44 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -93.85 -177.22 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.0 mt -93.36 -168.93 2.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.432 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 33.7 tt0 -155.8 98.43 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.468 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' 1616 ' ' ARG . 3.0 mt -123.6 24.77 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.027 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.584 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 0.0 OUTLIER -49.1 138.48 12.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.084 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 80.7 t80 -111.96 -69.23 0.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -167.15 -59.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.46 82.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 46.6 t -147.82 144.7 28.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.988 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.584 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 27.9 p90 -93.35 146.59 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.979 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.558 ' HB2' ' HB ' ' A' 1609 ' ' ILE . 25.5 mmm180 -108.62 92.28 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.432 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 29.6 m-85 -115.81 28.18 8.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.926 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.511 ' O ' HD12 ' A' 1618 ' ' ILE . 2.6 pp -52.37 146.05 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.489 ' CE1' HG22 ' A' 1580 ' ' ILE . 56.1 m-85 -97.5 122.72 54.66 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.816 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -68.59 -174.49 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.523 2.149 . . . . 0.0 112.204 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' 1584 ' ' LYS . 44.3 tp -159.2 95.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.776 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.522 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.8 m-20 -122.83 -176.54 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 75.2 p -63.66 -17.35 62.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.95 10.75 10.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.836 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.508 HG22 HG13 ' A' 1627 ' ' ILE . 36.7 m -100.4 106.79 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.413 ' HB3' ' O ' ' A' 1602 ' ' MET . 59.2 t-105 -78.1 104.13 8.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.777 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.508 HG13 HG22 ' A' 1625 ' ' THR . 66.0 mt -120.83 141.48 41.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.085 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' 1518 ' ' GLN . 47.6 mt-10 -138.81 -176.81 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.697 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 63.5 t80 -114.37 135.28 54.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.68 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -106.27 100.78 31.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.723 ' HB2' HD21 ' A' 1643 ' ' LEU . 52.8 Cg_exo -52.73 110.54 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.608 2.205 . . . . 0.0 112.414 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.542 ' HD2' ' HG3' ' A' 1598 ' ' GLN . 74.0 mtp180 -81.22 -5.39 57.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.023 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -100.6 115.46 30.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 70.2 p -134.19 1.0 3.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 71.7 p -86.55 -2.35 58.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 81.9 m -94.76 176.42 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.6 t -97.62 136.32 38.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 53.9 m 59.18 16.56 4.96 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 53.0 t -102.96 -25.24 13.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.797 ' HA ' HD23 ' A' 1643 ' ' LEU . 11.8 pt20 -89.26 10.71 21.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.55 96.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 71.9 t80 -65.56 -32.82 74.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.797 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -73.07 -32.39 64.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . 0.406 ' HA ' ' OD2' ' A' 1647 ' ' ASP . . . -59.32 -48.53 81.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -73.27 -4.99 36.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.694 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 51.9 tp -99.58 -25.87 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . 0.406 ' OD2' ' HA ' ' A' 1644 ' ' ALA . 45.7 m-20 -59.71 -41.47 90.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.652 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -60.68 -28.04 68.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.652 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.441 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 73.4 t80 -79.84 -33.01 40.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -62.26 -24.58 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.411 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -102.7 -35.81 8.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.941 0.401 . . . . 0.0 111.013 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.543 ' O ' ' HB2' ' A' 1656 ' ' ASN . 20.2 t70 -62.9 -11.4 18.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.291 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' 1649 ' ' PHE . 9.3 tp -106.05 -30.86 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 111.193 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 50.6 t80 -93.68 -55.34 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' 1655 ' ' LEU . 1.6 tm? -66.03 -43.95 86.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.332 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.599 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -89.71 -70.9 0.64 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.246 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 75.89 174.73 37.33 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.886 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.6 t -152.63 -61.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.714 0.292 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 52.9 t-80 64.85 150.22 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . 0.732 ' HG2' ' H ' ' A' 1512 ' ' ALA . 22.2 ttp -162.56 -167.88 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.473 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . 0.732 ' H ' ' HG2' ' A' 1511 ' ' MET . . . 78.4 -61.37 0.37 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.011 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -129.79 22.37 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.142 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' 1589 ' ' THR . 31.6 p -46.64 141.58 3.71 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 42.89 40.1 3.95 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.131 -1.033 . . . . 0.0 111.161 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -32.16 112.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.87 -0.665 . . . . 0.0 112.056 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.584 ' H ' HD21 ' A' 1590 ' ' ASN . 24.5 mmt -97.09 -168.16 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.53 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -136.31 165.82 24.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.76 139.92 55.61 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -66.12 -23.3 66.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 70.0 mt -149.57 99.83 2.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -120.47 119.04 31.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.746 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 54.4 mt -106.08 4.52 29.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 70.7 p -92.67 -26.22 17.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.7 mt -80.89 129.43 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.8 m -82.86 163.41 21.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -68.72 -21.9 64.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.0 mt-10 -88.4 -28.94 20.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 64.4 m -62.55 -44.01 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' 1530 ' ' ARG . 4.4 ptp180 -76.41 -9.42 58.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.683 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 22.8 tptm -91.56 -26.19 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.0 mm-40 -59.03 -17.41 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.988 0.423 . . . . 0.0 110.465 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.773 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 71.1 m -93.42 -28.33 16.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.834 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.683 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -68.82 -41.27 78.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.514 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 31.2 t -70.36 -5.52 28.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.773 ' HE2' ' HA ' ' A' 1533 ' ' THR . 49.9 mtmt -79.95 142.5 56.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.978 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 32.3 Cg_exo -58.39 -28.2 84.17 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.732 2.288 . . . . 0.0 112.317 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.88 -30.94 69.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.879 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -99.15 120.36 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -93.92 -59.1 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.962 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.46 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -105.78 167.5 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.426 0.631 . . . . 0.0 112.36 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -156.07 114.78 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.438 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.709 ' HB2' HD11 ' A' 1563 ' ' LEU . 0.8 OUTLIER -167.22 171.02 11.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.147 0.499 . . . . 0.0 112.088 -179.308 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.468 ' HE2' ' CD2' ' A' 1630 ' ' TRP . 15.0 ttmt -106.27 124.37 49.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.601 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' 1563 ' ' LEU . 30.4 m -114.76 177.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.348 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.454 ' HB3' HD11 ' A' 1564 ' ' LEU . 80.6 p -146.17 116.01 7.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.045 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.437 HD13 ' HB2' ' A' 1561 ' ' ALA . 39.6 mm -55.67 142.69 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.726 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . 0.41 ' O ' ' HE3' ' A' 1595 ' ' LYS . 61.6 p -130.46 -34.36 1.59 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.77 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 75.3 m -147.48 146.92 29.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.051 0.453 . . . . 0.0 111.533 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.1 mt -129.67 138.58 53.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 68.5 m -151.28 136.9 17.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.235 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.743 HG23 HG22 ' A' 1557 ' ' VAL . 5.1 p -115.25 137.77 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.932 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -139.7 119.65 13.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 59.81 -84.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.11 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' 1556 ' ' PHE . 5.0 m -131.24 -48.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' A' 1584 ' ' LYS . 96.3 m-85 -69.83 120.69 15.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.743 HG22 HG23 ' A' 1552 ' ' VAL . 30.7 t -98.0 116.36 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.747 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.6 OUTLIER -83.94 150.32 25.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -137.7 101.34 4.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -82.43 111.13 18.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.467 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.437 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -114.62 -178.3 3.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.489 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 10.0 m -136.3 114.75 11.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.73 HD21 HG12 ' A' 1566 ' ' ILE . 16.4 tp -60.63 103.83 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' 1545 ' ' VAL . 74.0 mt -61.04 -41.06 95.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.226 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.472 ' O ' HD11 ' A' 1563 ' ' LEU . 20.8 t70 -168.97 150.45 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.73 HG12 HD21 ' A' 1563 ' ' LEU . 54.6 mt -90.44 142.52 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 121.149 0.5 . . . . 0.0 112.009 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.507 ' HB2' ' O ' ' A' 1542 ' ' ALA . 42.0 m-85 -121.42 -13.49 8.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.14 178.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.6 tttp -168.79 109.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.429 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 26.3 m -42.29 143.57 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.213 0.53 . . . . 0.0 112.288 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.796 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -100.86 126.4 8.91 Favored Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.33 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -59.04 -24.68 63.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 110.785 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -91.07 43.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.628 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.5 t 58.34 92.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.215 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.796 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -125.01 129.35 50.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.602 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.591 ' O ' HD23 ' A' 1563 ' ' LEU . 43.2 mt-10 -136.33 152.93 51.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.522 ' N ' HD11 ' A' 1566 ' ' ILE . 61.3 tttm -60.93 129.71 42.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.981 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.7 t70 62.02 43.87 8.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.179 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.517 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 45.0 m -90.95 -176.81 4.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.661 179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -122.39 119.63 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.616 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.748 HD13 ' H ' ' A' 1580 ' ' ILE . 0.2 OUTLIER -130.94 160.32 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.395 -179.536 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 20.2 m -123.03 133.53 54.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.04 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.582 ' HA ' ' O ' ' A' 1619 ' ' TYR . 36.5 m-85 -117.44 114.62 23.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.747 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.8 pt -98.87 152.46 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.367 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.778 ' HB3' HD12 ' A' 1621 ' ' LEU . 60.8 pttt -142.71 -172.23 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.563 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -124.01 135.03 53.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 19.6 m -65.84 -11.94 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.2 p -88.3 2.94 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 11.0 t -88.67 124.29 33.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . 0.48 ' N ' ' SG ' ' A' 1514 ' ' CYS . 20.8 m -113.5 65.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.957 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.584 HD21 ' H ' ' A' 1517 ' ' MET . 5.5 t30 -175.16 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -84.39 131.56 34.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.003 0.43 . . . . 0.0 111.5 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . 0.441 ' H ' ' HE3' ' A' 1517 ' ' MET . 27.8 mm-40 -141.06 138.81 33.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.775 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 97.0 mt -135.75 121.29 19.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 67.5 t -99.01 142.43 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' A' 1548 ' ' THR . 87.2 tttt -69.28 141.13 54.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 58.63 66.1 3.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.57 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.445 ' HB3' ' CE2' ' A' 1599 ' ' TYR . 32.3 ttt180 -151.85 150.93 30.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.66 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -87.19 116.67 25.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.481 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' 1597 ' ' ARG . 49.0 m-85 -130.06 123.85 31.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.062 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.896 ' HB3' ' HB2' ' A' 1628 ' ' GLU . 55.0 tp -82.41 122.44 28.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.427 HD13 ' CZ ' ' A' 1582 ' ' PHE . 85.6 mt -117.17 138.19 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.025 0.441 . . . . 0.0 111.643 -179.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.589 ' HG2' HG21 ' A' 1539 ' ' ILE . 57.9 ttp -154.9 128.23 8.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.403 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.879 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 161.47 -158.27 30.02 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.057 -1.068 . . . . 0.0 113.472 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 27.1 tptp -43.75 154.12 0.11 Allowed 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 122.75 0.42 . . . . 0.0 111.654 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 10.3 pt-20 -82.1 55.7 2.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.487 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . 53.62 -167.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.964 0.411 . . . . 0.0 111.647 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.642 ' HG ' ' H ' ' A' 1609 ' ' ILE . 25.7 tp -98.7 164.5 12.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.599 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.407 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 35.8 tt0 -114.97 -15.73 11.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.842 0.353 . . . . 0.0 111.321 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.642 ' H ' ' HG ' ' A' 1607 ' ' LEU . 0.2 OUTLIER -139.05 99.99 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.044 0.45 . . . . 0.0 111.377 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.778 ' HB2' ' HB2' ' A' 1616 ' ' ARG . 62.3 tttp -53.07 -29.9 32.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.029 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 76.1 t80 56.07 92.2 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.131 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -176.27 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.661 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -168.67 -20.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.756 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.8 p -166.88 131.8 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.688 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . . . . . . . . . 45.7 p90 -52.03 137.42 27.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.778 ' HB2' ' HB2' ' A' 1610 ' ' LYS . 34.4 mmt180 -149.74 160.42 43.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.81 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 3.2 m-85 -105.15 80.81 1.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.613 HD12 HD13 ' A' 1583 ' ' ILE . 41.8 pt -105.85 130.06 57.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' 1582 ' ' PHE . 2.8 m-85 -72.77 115.13 36.78 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.235 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.23 -172.19 1.46 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.728 2.285 . . . . 0.0 112.399 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.778 HD12 ' HB3' ' A' 1584 ' ' LYS . 83.5 mt -143.74 99.79 3.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.729 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -123.1 -171.61 2.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.7 p -80.48 0.86 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.6 pp -95.3 -34.9 12.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.656 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.463 ' O ' HG12 ' A' 1627 ' ' ILE . 39.0 m -59.14 97.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.172 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -60.33 105.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.796 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' 1625 ' ' THR . 50.6 mm -101.97 142.68 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.0 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.896 ' HB2' ' HB3' ' A' 1600 ' ' LEU . 20.8 mm-40 -141.52 158.91 43.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 48.3 t80 -107.46 132.29 53.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.586 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.468 ' CD2' ' HE2' ' A' 1544 ' ' LYS . 4.4 t-105 -107.88 103.42 49.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.797 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.631 ' HB3' ' HB3' ' A' 1639 ' ' CYS . 72.0 Cg_exo -49.37 117.77 3.15 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.641 2.228 . . . . 0.0 112.263 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -77.8 5.25 9.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.222 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -140.07 179.23 6.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.383 . . . . 0.0 111.22 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 57.4 p -140.04 -60.99 0.53 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.061 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 70.7 p -83.93 10.31 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.251 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.3 t -59.63 -57.85 11.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.3 t -160.8 -58.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 38.9 t -149.64 9.18 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' 1631 ' ' PRO . 82.5 m -62.35 -27.41 69.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.54 -30.2 67.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -59.67 -32.28 70.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.212 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.496 ' HE2' HD22 ' A' 1646 ' ' LEU . 55.6 t80 -87.94 -33.92 18.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' 1631 ' ' PRO . 1.1 tp -70.1 -11.98 61.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -93.35 -31.89 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -87.25 -20.08 27.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.633 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.496 HD22 ' HE2' ' A' 1642 ' ' PHE . 62.3 tp -91.29 -24.02 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.09 -34.81 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.785 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -63.81 -37.29 86.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.759 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.452 ' O ' HG22 ' A' 1653 ' ' ILE . 89.3 t80 -76.81 -27.96 55.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -61.86 -23.38 66.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.278 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -115.93 -3.58 12.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.037 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.706 ' HA ' HD22 ' A' 1656 ' ' ASN . 20.5 t70 -90.68 -10.62 42.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.516 HD11 ' HD2' ' A' 1568 ' ' LYS . 6.9 tp -108.27 -30.6 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.037 0.446 . . . . 0.0 110.788 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 38.1 t80 -84.67 -46.83 11.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.992 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 1.3 tm? -84.36 -63.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.715 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.706 HD22 ' HA ' ' A' 1652 ' ' ASP . 20.3 m-80 -63.93 -72.45 0.14 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.404 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 68.71 162.03 2.46 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.401 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 38.9 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.893 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.1 t -142.51 -5.48 0.94 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 42.9 t60 -66.36 118.68 10.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 50.0 tpp -147.2 128.59 14.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -146.21 151.47 37.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -62.14 -79.4 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.552 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 8.2 t 52.1 92.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.305 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . 80.67 42.79 9.65 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.707 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -47.81 130.77 14.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.377 -0.411 . . . . 0.0 111.207 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 85.0 mtp -118.1 166.19 12.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -94.14 153.86 17.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -67.68 167.14 13.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -99.19 120.53 39.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.2 mt 57.01 90.33 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' 1524 ' ' THR . 7.5 p-10 -148.27 83.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.884 ' H ' HD22 ' A' 1523 ' ' LEU . 0.5 OUTLIER -59.8 98.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . 0.433 HG22 ' O ' ' A' 1522 ' ' ASP . 7.5 t -173.81 -18.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.407 ' H ' ' H ' ' A' 1524 ' ' THR . 61.2 mt -88.69 135.38 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.5 t -81.73 150.86 27.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.37 59.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -73.49 -36.88 65.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 63.1 m -59.51 -33.35 71.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.553 HH22 HD12 ' A' 1646 ' ' LEU . 55.5 mtm180 -81.92 -40.4 22.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.569 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.5 tmtp? -58.79 -41.34 86.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.695 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.2 mm-40 -51.74 -29.41 18.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.67 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.717 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 59.3 m -70.43 -38.32 74.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.748 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.428 ' HB2' ' HE3' ' A' 1602 ' ' MET . . . -69.02 -25.64 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.986 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 42.3 t -85.34 -14.08 47.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.717 ' HE3' ' HA ' ' A' 1533 ' ' THR . 97.8 mttt -58.03 150.37 51.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.23 -4.36 12.56 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.457 2.105 . . . . 0.0 112.202 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -92.02 -71.28 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.702 HG13 HG22 ' A' 1533 ' ' THR . 43.6 mm -48.63 147.48 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.55 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.495 ' N ' ' HA ' ' A' 1604 ' ' LYS . . . -119.73 -70.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.638 ' HA ' ' O ' ' A' 1568 ' ' LYS . 8.7 p90 -89.63 144.37 26.05 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.628 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -155.49 108.79 2.77 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.77 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER -175.64 -123.81 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.636 178.083 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.644 ' HD3' HE21 ' A' 1598 ' ' GLN . 39.1 ttmt -135.95 147.52 48.11 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.431 0.634 . . . . 0.0 112.242 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.652 ' HA ' ' H ' ' A' 1564 ' ' LEU . 3.6 m -144.01 168.61 10.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.058 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 31.3 t -138.15 118.99 14.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 111.409 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 45.9 mm -57.45 135.71 21.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.715 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 75.6 p -111.16 -43.8 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.626 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 66.7 m -151.37 161.33 42.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.033 0.444 . . . . 0.0 111.471 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 78.4 mt -127.93 98.68 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.693 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . 0.59 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 85.3 m -81.89 122.51 27.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.326 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 89.7 t -111.93 122.98 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.745 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -109.25 -73.59 0.68 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.031 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 44.6 t30 -167.88 -74.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' 1586 ' ' VAL . 62.1 t -95.17 -21.39 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.507 ' HA ' ' O ' ' A' 1584 ' ' LYS . 89.9 m-85 -126.49 108.29 11.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.768 HG23 HG12 ' A' 1586 ' ' VAL . 86.6 t -93.37 115.3 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.776 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.854 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.7 OUTLIER -85.71 144.76 27.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.016 -179.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -127.16 99.54 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.603 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -79.66 137.79 37.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -151.84 176.3 11.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.198 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 51.8 m -123.58 111.85 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.995 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.67 HD21 ' CG1' ' A' 1566 ' ' ILE . 14.6 tp -64.98 101.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.515 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.652 ' H ' ' HA ' ' A' 1545 ' ' VAL . 10.8 mp -56.14 -66.53 0.42 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.875 0.369 . . . . 0.0 111.97 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.77 ' O ' ' HB3' ' A' 1543 ' ' TYR . 8.2 m-20 -139.14 168.47 19.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.67 ' CG1' HD21 ' A' 1563 ' ' LEU . 10.1 mm -136.04 113.07 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 O-C-N 123.686 0.616 . . . . 0.0 112.428 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' A' 1542 ' ' ALA . 20.1 m-85 -75.88 -45.95 32.81 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' 1541 ' ' TYR . 55.4 tttm -123.05 124.23 42.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.142 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . 0.797 HG22 ' H ' ' A' 1571 ' ' GLU . 26.9 m -51.66 141.27 16.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.59 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.747 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -80.04 1.23 80.7 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.834 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.797 ' H ' HG22 ' A' 1569 ' ' THR . 44.9 mt-10 58.8 9.74 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.589 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -147.34 80.32 1.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' 1573 ' ' VAL . 21.3 t 46.05 45.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.372 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.747 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -104.31 134.38 47.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.672 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.61 ' HG2' ' HB3' ' A' 1578 ' ' SER . 11.2 pt-20 -167.06 152.85 7.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.416 ' CB ' ' HA ' ' A' 1565 ' ' ASP . 21.7 ptmt -56.09 128.75 36.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' 1563 ' ' LEU . 12.7 t70 69.14 41.19 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.234 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.61 ' HB3' ' HG2' ' A' 1575 ' ' GLU . 85.3 p -104.04 -165.29 1.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.63 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -112.23 138.23 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.638 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.683 HD12 ' HE1' ' A' 1582 ' ' PHE . 32.6 pt -139.24 152.34 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.391 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 35.6 m -146.39 118.7 8.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.683 ' HE1' HD12 ' A' 1580 ' ' ILE . 92.7 m-85 -108.67 117.7 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.854 HG22 ' HG3' ' A' 1558 ' ' LYS . 50.9 pt -100.28 147.52 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.764 ' HE2' ' HA ' ' A' 1586 ' ' VAL . 6.3 ttpm? -131.17 155.05 47.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.763 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' 1586 ' ' VAL . 50.6 mtpt -92.0 22.09 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.768 HG12 HG23 ' A' 1557 ' ' VAL . 2.3 m 48.68 18.42 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.976 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . 0.541 HG23 ' O ' ' A' 1585 ' ' LYS . 47.2 p -93.52 -31.51 14.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.344 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.652 ' HB2' ' HD2' ' A' 1584 ' ' LYS . 73.6 m -62.91 153.34 33.77 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.225 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 59.0 m -128.52 -28.32 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.055 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 7.0 t30 -88.89 -28.78 20.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.518 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -77.72 106.06 9.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.195 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -134.44 120.28 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.7 mt -98.48 170.63 8.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 78.6 t -132.09 133.09 60.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.5 tttt -67.72 132.58 47.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 64.64 75.62 0.37 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.706 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.551 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 31.4 ttm180 -169.91 143.1 2.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.644 HE21 ' HD3' ' A' 1544 ' ' LYS . 28.9 mt-30 -83.52 122.29 28.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.386 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.551 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 57.6 m-85 -128.18 142.9 51.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.367 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' 1543 ' ' TYR . 26.2 tp -80.69 125.48 30.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.659 178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.555 HD12 HG21 ' A' 1545 ' ' VAL . 30.4 mt -127.47 134.34 65.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.469 0.652 . . . . 0.0 112.532 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.561 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 79.1 mtp -140.57 93.36 2.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.337 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . -133.36 157.63 22.81 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.451 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.495 ' HA ' ' N ' ' A' 1540 ' ' ALA . 0.0 OUTLIER -64.0 -174.84 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.04 0.448 . . . . 0.0 111.876 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.589 ' HG3' ' HB2' ' A' 1572 ' ' ALA . 35.6 tt0 -69.1 157.93 35.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.011 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.457 ' C ' HD22 ' A' 1607 ' ' LEU . . . -75.03 -177.86 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' 1607 ' ' LEU . 3.0 mm? -120.99 123.92 43.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.63 139.95 57.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.47 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.608 HG13 ' HB2' ' A' 1616 ' ' ARG . 11.7 pt -139.69 -23.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.825 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.883 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 1.4 tmtp? 57.73 99.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . 0.602 ' HB3' ' HG3' ' A' 1616 ' ' ARG . 79.6 t80 -141.41 -48.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . 0.849 ' HB2' ' HD3' ' A' 1616 ' ' ARG . 14.8 m120 -116.57 147.49 41.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.629 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 64.02 -80.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' 1610 ' ' LYS . 56.0 m -153.52 -16.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.883 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 15.0 p90 -173.92 147.46 1.31 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.849 ' HD3' ' HB2' ' A' 1612 ' ' ASN . 25.1 mmm180 -122.52 130.43 53.03 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -115.6 48.98 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.502 HD12 HD13 ' A' 1583 ' ' ILE . 44.0 pt -60.72 141.83 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.709 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.543 ' O ' ' HA ' ' A' 1582 ' ' PHE . 57.1 m-85 -90.44 132.16 36.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.179 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.32 -165.06 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.627 2.218 . . . . 0.0 112.223 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.644 HD23 ' HB2' ' A' 1584 ' ' LYS . 53.0 tp -152.65 101.34 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.533 ' O ' ' HA2' ' A' 1515 ' ' GLY . 10.0 m-20 -130.55 -170.0 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 62.6 p -74.0 -30.5 62.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.785 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.518 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.5 pt? -66.14 -13.74 60.66 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 110.82 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.434 HG22 HG13 ' A' 1627 ' ' ILE . 73.0 m -68.94 115.39 8.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.561 ' HB3' ' HB2' ' A' 1602 ' ' MET . 62.5 t-105 -83.68 113.8 21.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.554 ' HA ' ' O ' ' A' 1600 ' ' LEU . 68.0 mt -131.13 129.83 63.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -148.95 118.67 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.445 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 74.9 t80 -50.46 138.0 18.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.443 ' CZ3' HD23 ' A' 1646 ' ' LEU . 9.9 t-105 -106.19 117.02 58.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -46.99 114.67 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.684 2.256 . . . . 0.0 112.618 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -60.42 -33.12 72.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -134.8 -169.28 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.022 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.713 HG22 HD12 ' A' 1643 ' ' LEU . 69.8 p -128.67 -31.25 2.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.256 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 73.0 p -97.25 -19.97 18.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.342 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 73.7 m -71.12 116.7 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.986 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 36.5 t 60.43 12.1 3.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.229 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.6 t 56.7 93.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 26.8 p -143.56 11.57 1.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.649 ' HB2' ' HB ' ' A' 1634 ' ' THR . 33.9 tt0 -63.21 -25.28 68.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.09 -21.76 61.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.299 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.45 ' O ' HD13 ' A' 1646 ' ' LEU . 34.4 t80 -84.03 -42.86 15.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.713 HD12 HG22 ' A' 1634 ' ' THR . 80.3 mt -73.88 3.03 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.21 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.62 -28.7 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.636 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -89.75 -39.36 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.566 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.553 HD12 HH22 ' A' 1530 ' ' ARG . 8.3 mp -70.61 -22.24 62.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.62 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.45 -45.64 91.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.625 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.18 -42.79 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.636 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.518 ' O ' HG22 ' A' 1653 ' ' ILE . 70.3 t80 -57.68 -35.71 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.812 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.66 -64.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.201 0.524 . . . . 0.0 111.463 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -69.73 -3.27 14.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.683 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -85.29 -72.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.547 HD13 ' HE3' ' A' 1531 ' ' LYS . 5.2 tp -57.43 -30.85 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.075 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 63.3 t80 -69.89 -53.59 17.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.6 tt -84.07 -68.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.74 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.647 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -60.81 -74.74 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.195 -179.684 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.489 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.88 128.99 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.518 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.1 t -139.33 110.12 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.337 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 46.7 t60 -110.46 117.97 35.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.09 164.49 32.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' 1588 ' ' CYS . . . -159.82 105.34 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.013 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.746 ' HB3' HD22 ' A' 1590 ' ' ASN . 4.5 p-10 -73.67 131.85 42.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.053 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.509 ' SG ' ' HD2' ' A' 1584 ' ' LYS . 19.2 p -110.38 29.54 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.296 0.57 . . . . 0.0 110.315 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.706 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 152.2 73.97 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.148 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -51.38 103.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.836 0.351 . . . . 0.0 110.949 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 64.9 mtt -83.31 146.32 28.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.11 158.03 36.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.677 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 45.6 mt-10 -61.81 149.99 38.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.74 134.22 34.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.028 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 95.5 mt 58.44 19.09 6.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.264 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.677 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 30.0 t70 -64.41 100.6 0.37 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.433 HD23 ' HD1' ' A' 1642 ' ' PHE . 64.3 mt -93.4 92.8 7.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.217 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.9 t -178.05 -8.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.051 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.22 143.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 81.2 p -83.96 -179.91 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -99.2 0.49 43.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -98.02 -19.83 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.008 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 56.1 m -76.08 -33.22 59.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.988 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.414 ' NH1' HD23 ' A' 1646 ' ' LEU . 4.6 ptp180 -95.85 14.38 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' 1531 ' ' LYS . 7.3 tmtm? -119.91 -52.41 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.623 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -59.81 -26.04 65.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.609 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.69 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 45.3 m -81.97 -24.05 35.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.75 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.49 ' HB1' ' HD3' ' A' 1568 ' ' LYS . . . -64.43 -46.04 84.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.11 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . 0.724 ' HA ' ' HE2' ' A' 1568 ' ' LYS . 38.1 t -90.36 5.49 47.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.723 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.69 ' HE2' ' HA ' ' A' 1533 ' ' THR . 24.3 ttmm -61.07 138.76 94.31 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.769 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.76 -22.02 16.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.596 2.198 . . . . 0.0 112.416 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.515 ' H ' ' HG2' ' A' 1536 ' ' LYS . 40.2 tt0 -83.01 -31.2 27.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.897 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -97.37 117.26 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.006 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -82.36 -51.42 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.375 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.925 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.1 p90 -115.43 155.48 27.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.401 0.62 . . . . 0.0 112.199 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' 1568 ' ' LYS . . . -144.86 104.51 4.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.517 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.69 ' HB2' ' O ' ' A' 1565 ' ' ASP . 0.6 OUTLIER -155.27 -175.75 5.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.117 0.484 . . . . 0.0 112.231 -178.68 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.579 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 19.9 ptpt -119.05 139.38 51.83 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.641 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' 1563 ' ' LEU . 16.0 m -139.29 175.83 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.183 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.425 ' HB2' HD11 ' A' 1564 ' ' LEU . 11.2 t -146.02 124.28 12.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.729 HD13 ' HB2' ' A' 1561 ' ' ALA . 37.3 mm -62.8 144.89 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.684 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 82.3 p -131.55 -41.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.576 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 42.4 t -131.81 160.66 34.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.975 0.417 . . . . 0.0 111.329 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 73.0 mt -134.31 114.54 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.748 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . 0.486 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 70.8 m -102.05 136.69 41.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.244 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 5.2 p -132.58 132.05 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.768 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -133.8 -54.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.976 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 7.4 p30 -145.22 -153.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.614 HG13 HG22 ' A' 1586 ' ' VAL . 52.4 t -53.54 -19.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.561 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.52 106.25 17.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' 1558 ' ' LYS . 31.8 t -81.54 155.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.616 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.779 ' HG2' HG22 ' A' 1583 ' ' ILE . 90.7 mttt -131.29 152.79 50.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 111.01 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -138.97 120.8 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.518 ' HB2' ' NZ ' ' A' 1560 ' ' LYS . 0.1 OUTLIER -97.18 106.81 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.226 179.52 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.729 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -118.07 170.79 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 111.641 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 8.2 m -114.38 135.29 54.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.974 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.928 ' HA ' HG12 ' A' 1545 ' ' VAL . 9.7 tp -77.46 95.5 4.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.607 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.582 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.4 mp -50.72 -50.76 54.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.565 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.69 ' O ' ' HB2' ' A' 1543 ' ' TYR . 12.8 t70 -164.58 154.77 14.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.871 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.788 HG12 HD21 ' A' 1563 ' ' LEU . 48.6 mt -104.88 125.93 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.538 ' HB2' ' O ' ' A' 1542 ' ' ALA . 83.7 m-85 -104.69 -23.62 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.724 ' HE2' ' HA ' ' A' 1535 ' ' CYS . 27.5 mtpp -149.49 122.67 8.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.437 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . 0.586 HG22 ' H ' ' A' 1571 ' ' GLU . 4.5 m -45.96 155.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.127 0.489 . . . . 0.0 112.062 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.925 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -103.81 6.17 47.87 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.011 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.586 ' H ' HG22 ' A' 1569 ' ' THR . 14.0 mm-40 59.2 7.79 0.95 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.978 0.418 . . . . 0.0 110.737 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -138.76 81.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.542 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.452 ' O ' HG22 ' A' 1573 ' ' VAL . 7.3 p 41.17 39.93 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.847 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.594 ' HB1' HD13 ' A' 1566 ' ' ILE . . . -59.01 128.61 38.1 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.222 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.528 ' HB3' ' OG ' ' A' 1578 ' ' SER . 9.1 tp10 -142.07 156.4 45.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.973 0.416 . . . . 0.0 111.339 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -67.72 122.83 18.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.416 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.645 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.1 t70 63.96 51.21 2.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.05 0.452 . . . . 0.0 110.782 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.571 ' H ' ' HB3' ' A' 1563 ' ' LEU . 69.0 m -87.11 -170.22 2.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.599 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . 0.438 ' CD ' ' HD2' ' A' 1560 ' ' LYS . 9.0 tp10 -115.69 115.24 26.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.565 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.619 HD13 HG11 ' A' 1545 ' ' VAL . 37.4 pt -111.05 153.01 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.684 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.1 m -141.4 99.34 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.735 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.581 ' HE1' HD12 ' A' 1580 ' ' ILE . 56.9 m-85 -94.3 125.48 38.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.949 0.404 . . . . 0.0 111.271 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.779 HG22 ' HG2' ' A' 1558 ' ' LYS . 42.0 pt -112.33 147.01 16.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.763 ' HB3' HD23 ' A' 1621 ' ' LEU . 21.8 pttm -145.72 -171.19 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -104.51 -177.03 3.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.643 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.614 HG22 HG13 ' A' 1555 ' ' VAL . 29.1 m -105.18 9.58 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.1 p -98.66 -0.93 41.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' 1512 ' ' ALA . 13.6 m -60.97 153.88 23.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 58.3 m -138.28 -29.9 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.746 HD22 ' HB3' ' A' 1513 ' ' ASP . 37.0 m-80 -108.8 0.43 20.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -121.42 111.92 17.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -149.94 105.54 3.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.758 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' 1593 ' ' LEU . 4.0 mp -91.13 158.83 16.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.47 HG12 ' OH ' ' A' 1599 ' ' TYR . 9.9 p -142.76 140.03 27.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 22.9 pttm -71.17 136.6 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.062 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 108.15 -22.64 26.88 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.678 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -99.37 169.83 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.977 0.418 . . . . 0.0 111.346 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -109.39 145.57 35.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.716 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.47 ' OH ' HG12 ' A' 1594 ' ' VAL . 98.1 m-85 -143.5 144.2 31.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.009 0.433 . . . . 0.0 111.415 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' 1601 ' ' ILE . 5.2 tt -95.12 134.68 37.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.746 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.623 ' N ' HD23 ' A' 1600 ' ' LEU . 69.3 mt -127.91 132.85 68.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.088 0.471 . . . . 0.0 112.19 -179.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.681 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 66.3 mtp -149.6 110.65 4.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.064 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.897 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.59 -164.27 31.24 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 119.803 -1.189 . . . . 0.0 113.681 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.508 ' HE3' ' HG3' ' A' 1538 ' ' GLU . 34.1 mmtp -46.25 157.09 0.14 Allowed 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 122.545 0.338 . . . . 0.0 111.565 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -69.23 -171.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.201 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . -104.65 140.34 38.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' 1617 ' ' TYR . 89.0 mt -66.41 147.73 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.606 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -104.66 -11.61 16.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.709 ' HA ' ' HB2' ' A' 1615 ' ' PHE . 13.9 pt -122.58 97.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.035 0.445 . . . . 0.0 111.567 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.899 ' HD3' HG12 ' A' 1618 ' ' ILE . 27.6 tptp -93.4 2.37 56.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.472 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 91.9 m-85 66.12 -172.29 0.19 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.715 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' 1613 ' ' ALA . 27.3 t-20 62.59 110.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' 1612 ' ' ASN . . . 74.87 -62.85 0.44 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.152 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 32.8 p -153.56 -79.27 0.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.841 0.353 . . . . 0.0 111.225 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.709 ' HB2' ' HA ' ' A' 1609 ' ' ILE . 48.3 p90 -174.28 153.12 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.715 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.693 ' H ' ' H ' ' A' 1610 ' ' LYS . 76.7 ttt180 -144.3 146.92 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.693 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.476 ' HA ' ' O ' ' A' 1607 ' ' LEU . 2.3 m-85 -90.83 105.27 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.899 HG12 ' HD3' ' A' 1610 ' ' LYS . 2.8 pp -117.02 177.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.556 ' O ' ' HA ' ' A' 1582 ' ' PHE . 57.1 m-85 -128.09 128.72 23.73 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.191 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -80.44 157.72 22.36 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.666 2.244 . . . . 0.0 112.166 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.763 HD23 ' HB3' ' A' 1584 ' ' LYS . 48.7 tp -132.7 92.76 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.699 ' HB2' HD12 ' A' 1624 ' ' LEU . 10.2 m-20 -121.7 -167.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.706 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 77.5 p -78.8 -23.16 45.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.849 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.699 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -76.13 -8.6 57.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 -179.746 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.639 ' N ' HD13 ' A' 1624 ' ' LEU . 60.5 m -84.24 112.36 20.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.187 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.681 ' HB3' ' HB2' ' A' 1602 ' ' MET . 57.9 t-105 -64.28 119.72 10.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.746 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' 1600 ' ' LEU . 45.5 mm -126.81 120.58 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -134.95 115.27 13.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 64.6 t80 -54.05 134.23 43.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.745 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.434 ' CD1' HD11 ' A' 1643 ' ' LEU . 13.5 t-105 -106.03 101.77 35.74 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.646 ' HB2' HD13 ' A' 1643 ' ' LEU . 72.9 Cg_exo -48.7 118.86 3.69 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.679 2.252 . . . . 0.0 112.599 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -91.7 -0.1 57.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . 0.601 ' HB2' ' HB2' ' A' 1639 ' ' CYS . 9.9 m-20 -97.94 128.49 44.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.312 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 31.3 p -146.67 0.38 0.76 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.016 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 78.0 p -74.25 -35.63 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.305 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 83.9 m -122.14 148.62 44.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.1 t -67.56 97.7 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 45.7 t -167.61 -59.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.622 ' HB3' ' HB3' ' A' 1631 ' ' PRO . 83.5 m -95.85 -21.33 18.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -63.03 -26.07 68.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -58.33 -28.1 64.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.541 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 52.9 t80 -88.44 -30.84 19.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.759 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.768 HD12 HD12 ' A' 1646 ' ' LEU . 1.1 tp -75.91 -6.11 49.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -81.4 -33.45 32.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -80.2 -28.46 38.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.444 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.768 HD12 HD12 ' A' 1643 ' ' LEU . 95.9 mt -70.68 -31.02 67.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.527 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.16 -36.64 80.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.15 -49.4 77.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.604 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' 1653 ' ' ILE . 62.3 t80 -63.77 -34.96 79.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.765 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.97 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.208 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -103.69 -4.5 23.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.7 t70 -89.26 -18.21 27.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.96 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' 1649 ' ' PHE . 20.0 tt -112.01 -27.69 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.8 t80 -74.32 -46.02 43.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.545 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' 1655 ' ' LEU . 5.9 tt -78.51 -45.54 21.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.553 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.64 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -85.63 -74.5 0.41 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.286 -179.478 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.01 158.84 21.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.437 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.1 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.889 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.3 p -91.45 146.12 24.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.4 m80 -83.1 140.41 32.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 86.2 mtp -133.3 145.92 50.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -137.47 125.37 22.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.43 -67.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.999 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' 1588 ' ' CYS . 8.7 t 54.92 30.96 14.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.395 0.617 . . . . 0.0 110.287 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' 1517 ' ' MET . . . 123.84 55.93 0.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.048 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -52.47 132.19 34.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.869 0.366 . . . . 0.0 111.299 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' 1515 ' ' GLY . 66.3 mtt -128.96 133.5 47.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.745 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.82 150.25 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.29 172.48 2.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.08 119.25 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 90.3 mt 60.29 99.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.232 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.68 104.66 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.527 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.508 HD23 ' HD1' ' A' 1642 ' ' PHE . 65.6 mt -83.32 17.17 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 54.4 p -90.9 2.42 56.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.8 mt -123.87 138.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.0 m -89.64 167.71 12.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . 0.689 ' HA ' HH11 ' A' 1530 ' ' ARG . . . -70.22 -32.77 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.181 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -85.81 -2.79 58.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 91.8 m -74.71 -49.41 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.753 ' H ' ' HD2' ' A' 1530 ' ' ARG . 0.0 OUTLIER -83.02 -15.24 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.729 ' HE3' HD13 ' A' 1653 ' ' ILE . 21.2 tptm -68.32 -31.27 70.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.6 mm-40 -59.51 -15.48 18.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.692 HG22 HG13 ' A' 1539 ' ' ILE . 88.9 m -89.28 -41.55 12.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.926 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.42 ' HB2' ' CE ' ' A' 1602 ' ' MET . . . -67.6 -7.12 23.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.553 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 44.3 t -101.88 -17.27 16.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.113 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.9 mtmt -63.41 142.92 97.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.34 -30.4 87.61 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.599 2.2 . . . . 0.0 112.452 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.5 ' HG3' ' H ' ' A' 1539 ' ' ILE . 7.9 pt-20 -63.68 -55.72 21.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.692 HG13 HG22 ' A' 1533 ' ' THR . 41.5 mm -62.68 111.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.176 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.465 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -84.81 -58.35 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.483 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.42 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 2.0 p90 -105.91 156.95 17.85 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.303 0.573 . . . . 0.0 112.107 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -154.66 101.11 2.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.821 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.646 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.1 p90 -152.55 169.73 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.139 0.495 . . . . 0.0 111.976 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.675 ' HG2' HD12 ' A' 1564 ' ' LEU . 37.6 ttpt -99.64 140.15 34.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.409 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' 1563 ' ' LEU . 18.8 m -136.56 -177.3 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.979 0.419 . . . . 0.0 111.547 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.551 ' HB2' HD11 ' A' 1564 ' ' LEU . 20.8 t -155.04 120.92 5.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.602 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.594 HD13 ' HB2' ' A' 1561 ' ' ALA . 35.2 mm -56.7 134.74 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . 0.499 ' O ' ' HE2' ' A' 1595 ' ' LYS . 39.1 p -129.19 -16.95 3.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.507 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 63.8 m -154.01 144.78 22.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 0.0 111.36 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.0 mt -137.54 128.76 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.832 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 63.3 m -133.68 141.21 47.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.5 p -123.93 140.09 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -107.8 -74.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.981 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.7 m120 -142.97 -73.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 39.3 t -102.42 -45.77 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -89.36 158.55 17.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 44.7 t -128.55 140.1 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.271 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.677 ' HD3' HG22 ' A' 1583 ' ' ILE . 23.0 mmtp -104.88 124.27 49.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.795 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' 1582 ' ' PHE . 96.3 m-85 -116.13 113.26 22.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.337 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' 1579 ' ' GLU . 18.9 mmtt -93.4 99.91 12.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -108.33 146.77 32.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.433 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 12.5 m -97.29 132.88 42.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.039 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.861 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.4 tt -73.14 101.48 3.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.431 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.675 HD12 ' HG2' ' A' 1544 ' ' LYS . 83.8 mt -57.93 -44.05 86.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.168 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.581 ' O ' ' HB2' ' A' 1543 ' ' TYR . 14.3 t70 -170.15 150.58 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.58 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.646 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 67.1 mt -97.2 138.16 22.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.575 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 43.7 m-85 -116.65 -20.13 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.0 tmtt? -155.55 99.79 2.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.252 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 89.5 m -40.84 141.81 0.54 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.301 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.772 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -90.34 132.65 11.39 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.012 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.64 -22.44 63.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.815 0.34 . . . . 0.0 110.955 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -73.18 -89.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.321 0.581 . . . . 0.0 110.798 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' 1573 ' ' VAL . 8.7 p -155.17 35.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.767 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.772 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -67.27 123.6 20.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' 1578 ' ' SER . 46.9 mt-10 -134.86 158.29 44.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 62.2 tttm -58.42 134.05 56.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.684 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.636 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.1 p30 44.88 36.26 1.82 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.603 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.545 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 79.0 p -82.65 -165.97 1.18 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.736 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . 0.5 ' HB3' ' NZ ' ' A' 1560 ' ' LYS . 42.6 mt-10 -121.41 122.92 40.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.792 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.771 HD11 HG11 ' A' 1545 ' ' VAL . 8.5 pt -125.73 136.9 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 9.1 m -110.85 105.96 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.632 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.656 ' HB3' HD11 ' A' 1621 ' ' LEU . 35.8 m-85 -102.64 119.76 39.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.282 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.677 HG22 ' HD3' ' A' 1558 ' ' LYS . 29.4 pt -102.2 149.52 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.952 0.406 . . . . 0.0 111.466 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' A' 1592 ' ' GLU . 36.6 ttpt -141.29 147.58 38.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.787 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.462 ' NZ ' ' HB2' ' A' 1585 ' ' LYS . 10.6 mtmp? -86.53 140.8 29.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.682 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.7 p -72.1 -7.12 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.023 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 75.8 p -76.84 -12.48 59.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.441 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' 1514 ' ' CYS . 56.6 m -66.85 178.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 0.0 111.015 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 74.9 m -145.8 -43.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 18.9 m120 -86.56 4.42 40.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -116.85 129.55 56.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . 0.445 ' HA ' ' NZ ' ' A' 1584 ' ' LYS . 40.9 tt0 -163.53 102.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' 1593 ' ' LEU . 4.4 mp -88.43 164.41 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.515 HG12 ' OH ' ' A' 1599 ' ' TYR . 12.2 p -144.42 146.7 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.499 ' HE2' ' O ' ' A' 1548 ' ' THR . 57.9 tttm -80.58 134.78 35.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 104.99 -16.02 47.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.714 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.419 ' HB2' HG13 ' A' 1594 ' ' VAL . 10.9 mpt_? -99.48 172.7 7.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.969 0.414 . . . . 0.0 111.376 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -114.41 146.98 39.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.819 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.515 ' OH ' HG12 ' A' 1594 ' ' VAL . 96.8 m-85 -142.08 127.54 18.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.287 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' 1543 ' ' TYR . 56.9 tp -82.78 107.79 15.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.985 179.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' A' 1582 ' ' PHE . 58.7 mt -95.2 132.96 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.266 0.555 . . . . 0.0 112.056 -178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.42 ' CE ' ' HB2' ' A' 1534 ' ' ALA . 61.8 mtp -147.55 107.98 4.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.802 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.583 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -158.42 -174.85 28.66 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.116 -1.04 . . . . 0.0 113.523 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.465 ' HA ' ' H ' ' A' 1540 ' ' ALA . 12.5 mtmt -62.31 -172.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.114 0.483 . . . . 0.0 111.495 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -74.71 148.17 40.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.436 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -74.45 152.4 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.52 HD23 ' HD3' ' A' 1620 ' ' PRO . 3.9 mm? -63.78 -168.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.654 ' C ' HD13 ' A' 1609 ' ' ILE . 3.8 pt20 -150.98 134.06 15.98 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.169 0.509 . . . . 0.0 111.826 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.825 ' HA ' ' HA ' ' A' 1616 ' ' ARG . 0.2 OUTLIER 38.29 -171.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 114.521 -1.218 . . . . 0.0 113.537 178.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.871 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 66.7 mttm -57.67 111.81 1.25 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.91 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -141.91 96.39 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 13.8 m120 61.13 -83.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.289 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -97.49 -27.73 14.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 53.8 m -81.47 163.48 22.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.871 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 99.3 m-85 -144.94 25.97 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.729 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.825 ' HA ' ' HA ' ' A' 1609 ' ' ILE . 38.5 ptt180 164.52 178.56 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.453 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.58 ' HE1' HG23 ' A' 1609 ' ' ILE . 3.8 m-85 -72.03 84.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.798 0.333 . . . . 0.0 110.787 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.619 HG23 ' HG3' ' A' 1616 ' ' ARG . 43.5 pt -106.64 177.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.436 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 14.6 m-85 -125.73 114.58 24.8 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.808 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . 0.52 ' HD3' HD23 ' A' 1607 ' ' LEU . 73.5 Cg_endo -75.54 167.08 27.28 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.665 2.244 . . . . 0.0 112.826 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.656 HD11 ' HB3' ' A' 1582 ' ' PHE . 82.6 mt -145.62 100.19 3.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.76 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -114.94 -76.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.811 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.416 ' H ' ' H ' ' A' 1624 ' ' LEU . 73.1 p -169.18 -19.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' 1625 ' ' THR . 0.0 OUTLIER -73.96 -11.72 60.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.565 ' N ' HD13 ' A' 1624 ' ' LEU . 69.1 m -91.52 113.46 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -66.23 123.25 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 64.9 mt -124.45 126.84 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.792 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.36 113.21 10.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.862 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 74.8 t80 -55.22 134.71 49.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.019 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -104.6 106.83 56.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.607 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.658 ' HB2' HD11 ' A' 1643 ' ' LEU . 59.2 Cg_exo -51.88 109.88 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.527 2.151 . . . . 0.0 112.409 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -82.11 -30.97 30.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -72.51 114.37 10.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.8 p -135.17 10.71 3.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 60.2 p -141.49 76.71 1.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.9 t -124.88 -74.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 77.8 p -169.11 -61.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 38.1 t -113.8 8.13 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 5.1 t -72.21 -158.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.606 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.59 ' HA ' HD23 ' A' 1643 ' ' LEU . 36.1 tt0 55.85 85.71 0.07 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.942 0.401 . . . . 0.0 111.063 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -149.28 -33.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.756 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.508 ' HD1' HD23 ' A' 1523 ' ' LEU . 88.5 t80 -91.08 -20.78 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.679 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.658 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.6 mm? -67.97 -35.79 78.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -59.95 -35.65 75.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -74.92 -19.21 60.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' 1643 ' ' LEU . 96.6 mt -79.97 -33.42 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -60.84 -32.33 71.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.678 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -66.38 -32.07 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.422 ' O ' HG22 ' A' 1653 ' ' ILE . 80.8 t80 -69.71 -28.01 65.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -67.09 -49.02 66.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.318 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -80.05 -4.39 52.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.123 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.696 ' HA ' HD22 ' A' 1656 ' ' ASN . 18.5 t70 -95.58 -16.3 22.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.729 HD13 ' HE3' ' A' 1531 ' ' LYS . 6.9 tp -105.33 -28.81 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.035 0.445 . . . . 0.0 110.684 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.3 t80 -81.66 -44.3 17.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.29 -70.29 0.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.696 HD22 ' HA ' ' A' 1652 ' ' ASP . 17.3 m-80 -58.04 -59.35 5.41 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.513 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 60.14 42.31 98.5 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.384 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.224 -179.716 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 79.2 p -146.96 -51.67 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.79 0.329 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -130.48 157.3 43.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.5 mmt 57.71 -166.53 0.15 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.989 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -129.73 151.76 49.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.636 ' O ' ' HB3' ' A' 1590 ' ' ASN . 3.7 p-10 -91.66 -24.06 19.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.414 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.611 ' HB2' ' HA ' ' A' 1588 ' ' CYS . 12.0 t 53.73 -153.9 0.26 Allowed 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -179.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . -61.88 80.63 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.158 -1.02 . . . . 0.0 111.377 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' 1514 ' ' CYS . 3.5 pp0? -47.22 139.23 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 111.119 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.54 ' HG2' ' HB ' ' A' 1627 ' ' ILE . 63.9 mtt -124.38 141.84 51.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -81.94 171.21 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -66.34 176.06 1.96 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.97 -85.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 74.6 mt -105.98 99.76 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -147.94 96.68 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.598 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 36.1 mt -70.69 100.56 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . 0.401 ' H ' ' H ' ' A' 1525 ' ' ILE . 7.5 t -168.47 -21.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.401 ' H ' ' H ' ' A' 1524 ' ' THR . 64.9 mt -89.78 133.44 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.5 t -77.03 157.71 30.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.42 -14.8 58.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -87.44 -33.89 18.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 46.2 m -59.22 -25.19 63.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -91.08 -41.09 11.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.55 ' O ' ' HD3' ' A' 1531 ' ' LYS . 11.8 tmtt? -61.87 -37.84 86.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.066 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' 1528 ' ' GLU . 30.3 mm-40 -58.97 -17.84 28.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.781 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.689 ' HA ' ' HG3' ' A' 1536 ' ' LYS . 37.6 m -85.97 -26.84 25.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.881 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -70.75 1.82 4.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.454 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 39.5 t -126.91 -3.72 6.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.689 ' HG3' ' HA ' ' A' 1533 ' ' THR . 98.4 mttt -64.28 151.2 91.33 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.38 -27.65 47.2 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.54 2.16 . . . . 0.0 112.236 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.427 ' O ' HD13 ' A' 1539 ' ' ILE . 11.5 pt-20 -85.55 9.52 15.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.777 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.512 HD12 ' HA2' ' A' 1603 ' ' GLY . 34.8 mm -124.85 120.44 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.002 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -90.55 -61.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.726 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.935 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.6 p90 -108.28 159.71 16.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.282 0.563 . . . . 0.0 112.206 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.579 ' HA ' ' HG2' ' A' 1602 ' ' MET . . . -144.96 90.6 2.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.815 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.803 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.2 p90 -144.28 -171.85 3.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.257 0.551 . . . . 0.0 112.068 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -132.81 132.42 42.17 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.029 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.858 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.9 m -127.86 -177.35 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.068 0.461 . . . . 0.0 111.724 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 22.5 t -141.77 123.64 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.483 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.444 HD11 HD13 ' A' 1593 ' ' LEU . 38.3 mm -61.3 135.83 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 44.2 p -132.42 -31.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.25 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.591 ' HA ' ' HE2' ' A' 1595 ' ' LYS . 73.4 m -140.73 141.34 34.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 72.4 mt -131.51 125.48 56.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.849 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.3 m -128.68 136.74 51.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.604 HG22 HG23 ' A' 1557 ' ' VAL . 38.2 t -118.12 128.73 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.051 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -90.71 -68.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . 0.502 ' ND2' HG23 ' A' 1555 ' ' VAL . 10.5 t30 -163.37 -71.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.874 -179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.502 HG23 ' ND2' ' A' 1554 ' ' ASN . 39.7 t -99.94 -43.01 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -101.73 112.25 24.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.796 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.604 HG23 HG22 ' A' 1552 ' ' VAL . 10.1 p -84.94 151.36 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.458 ' HB2' ' NZ ' ' A' 1558 ' ' LYS . 10.5 mtmp? -124.81 149.65 47.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.383 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -133.29 106.82 7.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.435 ' HG2' HG23 ' A' 1581 ' ' THR . 60.9 mttp -88.08 121.65 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -136.79 167.39 21.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.33 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.9 m -104.57 141.29 36.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.184 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.858 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.4 mt -73.63 124.65 26.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.974 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.8 mp -88.48 -35.68 16.88 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.315 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.5 t70 -174.29 130.46 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.803 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 68.5 mt -103.9 120.32 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.818 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -92.68 -25.57 18.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.353 0.597 . . . . 0.0 109.647 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 62.2 tttp -141.13 116.84 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.56 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 20.3 m -45.88 149.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 111.916 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.935 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -86.56 16.81 43.12 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.969 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 55.99 9.42 0.46 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.2 0.524 . . . . 0.0 110.26 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -136.4 -148.14 0.28 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.8 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.472 ' O ' HG22 ' A' 1573 ' ' VAL . 7.7 p -77.96 34.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.206 0.527 . . . . 0.0 111.272 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.71 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -82.48 125.29 30.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.257 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.403 ' C ' HD12 ' A' 1566 ' ' ILE . 15.8 mm-40 -148.58 163.11 38.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.047 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 61.1 tttm -52.96 106.52 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.47 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.694 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.7 t70 64.83 82.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.857 ' H ' ' HB2' ' A' 1563 ' ' LEU . 54.8 m -129.18 -174.33 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.407 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -108.72 115.09 29.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 110.431 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.701 HD11 HG11 ' A' 1545 ' ' VAL . 8.9 pt -127.22 137.49 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.442 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . 0.468 HG21 ' NH2' ' A' 1616 ' ' ARG . 35.1 m -115.42 113.62 23.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.072 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.457 ' HE1' HD12 ' A' 1580 ' ' ILE . 39.9 m-85 -87.65 174.15 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.689 HG23 ' HA ' ' A' 1620 ' ' PRO . 9.0 tt -153.95 107.22 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.793 ' HB2' HD12 ' A' 1621 ' ' LEU . 39.0 ttpt -96.15 148.78 22.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.454 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 75.9 mmtt -75.28 -177.77 3.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' 1555 ' ' VAL . 9.7 p -99.31 -27.2 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 69.6 p -72.45 -10.99 60.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.611 ' HA ' ' HB2' ' A' 1514 ' ' CYS . 57.3 m -60.43 121.83 13.07 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . 0.473 HG22 ' O ' ' A' 1589 ' ' THR . 8.8 m -121.23 7.1 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.403 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.636 ' HB3' ' O ' ' A' 1513 ' ' ASP . 2.9 t-20 -130.11 -21.73 2.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.178 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -89.07 122.45 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.286 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.59 142.61 23.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.444 HD13 HD11 ' A' 1547 ' ' ILE . 93.8 mt -132.56 163.49 28.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.108 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.75 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 59.2 t -132.41 140.04 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.834 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.3 ttmt -72.76 125.81 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 103.36 -5.53 48.89 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.734 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.75 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 90.8 mtt180 -101.0 173.11 6.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.058 0.456 . . . . 0.0 111.396 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -120.97 137.2 54.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.75 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -139.41 145.86 39.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.442 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' 1627 ' ' ILE . 51.5 tp -90.63 120.01 31.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.912 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.559 HG22 ' HE1' ' A' 1541 ' ' TYR . 61.7 mt -114.84 134.58 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.066 0.46 . . . . 0.0 112.015 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.579 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 66.8 mtp -148.87 111.49 4.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.111 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.512 ' HA2' HD12 ' A' 1539 ' ' ILE . . . 178.47 -169.61 41.31 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.083 -1.056 . . . . 0.0 113.294 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.495 ' NZ ' ' HB3' ' A' 1604 ' ' LYS . 4.2 mmmp? -50.61 154.99 1.19 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.902 0.382 . . . . 0.0 111.551 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.422 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 13.6 pt-20 -78.3 -169.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.245 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.427 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -85.12 156.77 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.084 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' 1617 ' ' TYR . 3.8 mm? -88.5 130.08 35.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.485 ' HG3' ' CZ ' ' A' 1617 ' ' TYR . 64.8 tt0 -66.93 -9.73 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.76 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.728 HG22 ' HD1' ' A' 1615 ' ' PHE . 14.6 pt -149.44 81.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.119 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.457 ' HB3' HG13 ' A' 1618 ' ' ILE . 26.8 tptp -108.03 -6.96 16.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.788 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' 1614 ' ' SER . 0.5 OUTLIER -89.27 173.13 8.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.62 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -67.57 -43.69 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.041 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -165.29 -8.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . 0.465 ' HB3' ' CD2' ' A' 1611 ' ' TYR . 47.5 t -83.02 -9.86 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.728 ' HD1' HG22 ' A' 1609 ' ' ILE . 55.6 m-85 64.98 136.56 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.514 ' HD3' HD11 ' A' 1618 ' ' ILE . 75.2 ttt180 -169.33 136.21 1.72 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.485 ' CZ ' ' HG3' ' A' 1608 ' ' GLN . 1.9 m-85 -87.93 94.82 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.232 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.514 HD11 ' HD3' ' A' 1616 ' ' ARG . 1.7 mt -112.44 148.75 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 111.34 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 53.7 m-85 -102.11 104.54 37.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.65 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . 0.689 ' HA ' HG23 ' A' 1583 ' ' ILE . 54.4 Cg_endo -68.12 171.54 12.41 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.495 2.13 . . . . 0.0 112.137 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.793 HD12 ' HB2' ' A' 1584 ' ' LYS . 94.7 mt -136.81 96.83 3.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.487 ' HB2' ' HG ' ' A' 1624 ' ' LEU . 10.0 m-20 -118.95 -178.99 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.584 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' 1514 ' ' CYS . 56.0 p -61.82 -10.27 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.487 ' HG ' ' HB2' ' A' 1622 ' ' ASP . 2.2 pp -90.52 10.26 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.5 m -107.3 137.05 46.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.996 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' A' 1601 ' ' ILE . 65.2 t-105 -103.9 115.44 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.54 ' HB ' ' HG2' ' A' 1517 ' ' MET . 68.7 mt -132.11 118.26 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -128.1 141.2 51.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.57 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 58.4 t80 -65.59 136.18 56.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -109.51 112.96 58.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.55 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.529 ' HB2' HD21 ' A' 1643 ' ' LEU . 55.3 Cg_exo -52.5 116.45 2.86 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.592 2.194 . . . . 0.0 112.316 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -84.75 -31.92 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.045 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.16 113.19 15.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.541 ' HB ' HE21 ' A' 1640 ' ' GLN . 68.6 p -142.59 8.44 1.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 5.0 t -59.26 -41.0 87.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.282 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.42 ' O ' ' HG3' ' A' 1640 ' ' GLN . 29.5 p -97.46 150.36 21.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 43.0 t -74.99 -1.48 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 80.1 p -98.94 12.3 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.996 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 24.1 t -141.57 24.28 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.844 ' HA ' HD23 ' A' 1643 ' ' LEU . 28.7 mt-30 -119.28 16.06 13.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.18 -53.54 43.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 62.8 t80 -65.71 -31.48 72.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.844 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -69.81 -22.96 63.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.747 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.93 63.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.06 -23.28 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.57 -23.38 32.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.31 -40.63 96.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.6 -18.09 62.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.701 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.507 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 58.7 t80 -84.61 -39.6 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.072 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.18 13.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.413 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.17 -31.82 70.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.326 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.75 -68.87 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.447 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.539 HD13 ' HE2' ' A' 1531 ' ' LYS . 7.9 tp -55.97 -30.13 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.73 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 58.5 t80 -76.66 -48.82 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.931 0.396 . . . . 0.0 111.352 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 97.8 mt -85.03 -67.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.107 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.654 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -61.41 -74.78 0.08 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.394 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 76.37 157.17 7.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.357 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . 0.517 ' HB2' ' NZ ' ' A' 1531 ' ' LYS . 49.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.3 p -99.39 -1.75 37.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 14.5 p80 -135.65 161.59 35.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 25.5 ptm -145.95 153.91 41.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -120.37 174.44 6.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.78 34.94 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.451 ' O ' ' HB3' ' A' 1588 ' ' CYS . 3.6 p -48.06 120.8 3.73 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.388 . . . . 0.0 110.438 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 74.89 34.9 51.88 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.67 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.596 ' HG3' ' HA ' ' A' 1623 ' ' SER . 4.2 pp0? -54.32 160.14 1.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.19 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 15.5 ptp -135.51 138.47 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -71.26 178.19 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -61.92 153.29 29.63 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . 0.505 ' HG3' ' HD2' ' A' 1629 ' ' TYR . 41.0 tt0 -71.61 -33.7 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 93.4 mt -147.7 105.21 3.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -142.66 129.52 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 90.3 mt -91.89 10.97 26.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 72.3 p -77.13 -9.52 58.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 65.4 mt -111.77 129.41 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.5 m -103.15 -178.19 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -85.42 0.18 53.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.9 mt-10 -105.31 -52.91 2.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 34.5 m -62.5 -19.5 63.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -95.13 -25.49 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.3 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.529 ' O ' ' HD3' ' A' 1531 ' ' LYS . 3.3 tmtp? -81.79 -45.3 15.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' 1528 ' ' GLU . 17.0 mm-40 -54.49 -26.17 29.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.784 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.794 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 91.8 m -81.54 -33.17 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.78 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -69.69 -9.87 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.2 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 50.7 t -98.43 -25.31 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.794 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.3 mtmt -63.1 155.14 74.7 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . 0.455 ' HG2' ' OE1' ' A' 1538 ' ' GLU . 29.0 Cg_endo -63.2 -12.26 29.32 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.483 2.122 . . . . 0.0 112.305 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.455 ' OE1' ' HG2' ' A' 1537 ' ' PRO . 0.3 OUTLIER -69.27 -22.87 63.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.451 179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.585 HG21 ' HG2' ' A' 1602 ' ' MET . 13.4 mm -118.84 111.39 33.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.416 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -79.3 -53.28 7.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.001 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.477 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 3.3 p90 -116.76 155.86 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.163 0.506 . . . . 0.0 111.589 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.41 ' HB3' ' CB ' ' A' 1568 ' ' LYS . . . -145.82 100.58 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.086 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.761 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 12.6 p90 -150.84 -179.07 6.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.293 0.568 . . . . 0.0 112.013 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' 1564 ' ' LEU . 60.2 tttm -123.08 136.95 55.02 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.484 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.826 HG12 ' HA ' ' A' 1563 ' ' LEU . 11.6 m -132.56 -175.91 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 18.0 t -145.5 127.86 15.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' 1561 ' ' ALA . 44.5 mm -66.6 137.6 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' 1561 ' ' ALA . 4.2 t -130.38 -18.02 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.465 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.828 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 49.5 m -152.04 144.34 24.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.521 HG13 ' HB3' ' A' 1595 ' ' LYS . 77.3 mt -131.25 138.15 53.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.2 m -135.38 109.03 7.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 33.7 t -95.77 122.68 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' 1556 ' ' PHE . 38.7 tt0 -106.62 163.49 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.637 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . 0.408 ' N ' ' HG2' ' A' 1553 ' ' GLU . 34.4 m-80 -58.3 -18.52 27.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.331 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 71.8 t -126.41 -76.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.415 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.454 ' O ' ' HB3' ' A' 1553 ' ' GLU . 97.0 m-85 -82.73 178.19 8.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.348 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.561 ' HB ' ' HG2' ' A' 1584 ' ' LYS . 11.8 t -136.59 111.66 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.761 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' 1558 ' ' LYS . 0.8 OUTLIER -90.42 124.11 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.149 -179.674 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.479 ' HE2' ' HE3' ' A' 1584 ' ' LYS . 37.3 m-85 -114.41 114.76 26.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.89 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.828 ' HB3' ' HB2' ' A' 1549 ' ' SER . 42.6 tptt -97.98 115.53 28.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.428 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.541 ' HA ' HG22 ' A' 1548 ' ' THR . . . -135.62 165.79 24.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 0.0 111.541 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -114.87 135.52 54.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.852 179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.826 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.3 tt -70.25 134.5 48.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.597 HD13 ' HA ' ' A' 1545 ' ' VAL . 8.9 mp -91.8 -50.55 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.788 0.328 . . . . 0.0 110.813 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.506 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.3 t70 -164.61 141.22 6.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.644 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.761 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.0 mt -99.18 121.99 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 111.922 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.623 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 95.5 m-85 -93.74 -19.68 20.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.558 178.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.41 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 6.9 tmtm? -149.72 110.21 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.685 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 88.2 m -43.69 145.51 0.65 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.1 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.816 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -103.84 135.17 12.26 Favored Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.311 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -56.79 -30.33 63.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.708 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -84.95 56.94 4.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.284 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' 1573 ' ' VAL . 7.4 p 38.68 75.27 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.689 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.816 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -93.72 137.04 33.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.583 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -139.98 143.68 36.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.695 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -57.37 129.02 39.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.725 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.716 ' HA ' ' O ' ' A' 1563 ' ' LEU . 16.3 t70 64.39 38.7 7.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.464 ' H ' ' HB3' ' A' 1563 ' ' LEU . 24.4 t -87.44 -167.25 1.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.473 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -110.74 129.94 55.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.654 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.747 HD12 ' HE1' ' A' 1582 ' ' PHE . 35.9 pt -128.26 145.02 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.581 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 21.9 m -137.27 100.91 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.826 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.747 ' HE1' HD12 ' A' 1580 ' ' ILE . 81.6 m-85 -93.2 121.01 34.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.021 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' 1557 ' ' VAL . 41.1 pt -112.27 144.71 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.608 ' HE2' HD13 ' A' 1621 ' ' LEU . 19.5 ptpt -141.88 -169.08 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.528 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.2 OUTLIER -109.2 176.92 4.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.687 179.537 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.1 p -78.01 -25.57 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.301 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.1 p -75.51 -8.84 57.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.39 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.606 ' HB2' ' HD3' ' A' 1584 ' ' LYS . 17.9 m -81.99 35.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.132 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 37.8 m -59.91 -22.43 62.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -54.76 -30.31 56.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -103.0 120.94 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.78 99.51 4.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' 1593 ' ' LEU . 3.9 mp -95.71 174.99 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.589 ' HB ' ' HD3' ' A' 1597 ' ' ARG . 49.1 t -133.4 136.4 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.521 ' HB3' HG13 ' A' 1550 ' ' ILE . 13.3 ptmm? -70.03 116.3 10.24 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 117.18 -8.07 16.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.589 ' HD3' ' HB ' ' A' 1594 ' ' VAL . 10.6 mpt_? -94.56 173.3 7.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.411 . . . . 0.0 111.18 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.605 ' HG3' HH21 ' A' 1632 ' ' ARG . 21.9 mt-30 -112.58 133.47 54.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -133.54 149.97 51.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.364 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' 1601 ' ' ILE . 2.2 tm? -95.82 130.82 42.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.984 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.794 HD13 HG22 ' A' 1545 ' ' VAL . 2.2 mp -120.84 131.78 72.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.029 0.443 . . . . 0.0 111.354 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.585 ' HG2' HG21 ' A' 1539 ' ' ILE . 3.7 ttp -152.7 129.19 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.442 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.567 ' N ' HG23 ' A' 1539 ' ' ILE . . . 163.0 -168.93 38.0 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 119.937 -1.125 . . . . 0.0 113.494 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -53.87 154.85 3.69 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.853 0.358 . . . . 0.0 111.201 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.55 172.57 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -80.93 -177.57 6.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.32 -171.91 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -170.47 119.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.423 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.623 ' HB ' ' HB3' ' A' 1615 ' ' PHE . 1.1 mt -115.49 -34.23 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' 1615 ' ' PHE . 25.3 ttpp 179.92 -114.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.494 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 23.9 p90 177.3 106.74 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.997 0.427 . . . . 0.0 111.127 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . 0.417 HD22 ' HZ1' ' A' 1610 ' ' LYS . 5.1 m-20 -178.71 -80.03 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.946 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -158.32 -37.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.9 t -101.3 -15.81 17.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.456 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.623 ' HB3' ' HB ' ' A' 1609 ' ' ILE . 39.0 m-85 -132.99 116.86 16.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.317 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 179.21 -166.84 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.907 0.384 . . . . 0.0 111.098 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -80.2 115.33 19.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 44.7 pt -135.26 142.79 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' 1582 ' ' PHE . 49.3 m-85 -93.81 127.45 45.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.159 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -80.61 -177.66 3.91 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.619 2.213 . . . . 0.0 112.414 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.608 HD13 ' HE2' ' A' 1584 ' ' LYS . 74.1 mt -145.74 99.62 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.778 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -126.57 -171.63 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.596 ' HA ' ' HG3' ' A' 1516 ' ' GLN . 79.1 p -75.2 -5.28 43.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.5 pp -92.85 -31.69 14.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.685 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.454 ' O ' HG12 ' A' 1627 ' ' ILE . 39.0 m -58.1 98.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.028 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -61.79 109.93 1.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' 1625 ' ' THR . 49.6 mm -113.14 134.73 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.757 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.413 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 0.7 OUTLIER -147.32 100.23 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.953 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.533 ' O ' ' HD3' ' A' 1631 ' ' PRO . 43.3 t80 -58.0 120.44 8.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.802 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -89.19 106.8 14.62 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.264 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.758 ' HB2' HD21 ' A' 1643 ' ' LEU . 52.1 Cg_exo -52.51 99.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.505 2.137 . . . . 0.0 112.528 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.605 HH21 ' HG3' ' A' 1598 ' ' GLN . 28.0 ttm180 -62.26 -36.0 80.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.723 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' 1636 ' ' CYS . 14.7 t70 -68.65 117.12 9.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.846 HG22 HD13 ' A' 1643 ' ' LEU . 30.3 p -133.08 -13.23 2.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 9.8 t -94.75 12.78 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.276 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.508 ' HB3' ' OD1' ' A' 1633 ' ' ASP . 52.0 t -128.99 121.15 27.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 36.1 t 61.06 176.12 0.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.4 p -87.81 46.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 85.0 m -81.61 16.86 1.59 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.984 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.573 ' HA ' HD12 ' A' 1643 ' ' LEU . 9.0 mt-30 -81.67 4.04 23.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.0 -62.19 2.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 80.6 t80 -73.98 -6.54 48.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.434 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.846 HD13 HG22 ' A' 1634 ' ' THR . 49.7 mt -95.65 5.29 51.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.843 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -103.31 -48.0 4.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -62.27 -30.17 70.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.736 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.13 -30.86 70.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.63 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -66.0 -30.95 71.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.61 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' 1652 ' ' ASP . 13.4 mm-40 -80.16 3.08 21.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.737 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.43 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 83.4 t80 -118.06 -29.56 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.679 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -63.85 -65.49 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -72.15 -12.68 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.975 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' 1648 ' ' GLU . 17.2 t70 -66.85 -70.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.522 HD12 ' HE3' ' A' 1531 ' ' LYS . 17.3 tt -62.94 -28.0 44.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.964 0.411 . . . . 0.0 110.834 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.3 t80 -63.95 -50.59 68.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.713 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.438 ' C ' HD23 ' A' 1655 ' ' LEU . 6.8 tt -83.82 -64.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.487 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -60.65 -74.67 0.07 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 71.65 136.81 0.18 Allowed Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.476 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 54.1 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.858 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.1 t -140.61 105.22 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -131.59 117.31 18.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.783 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 25.7 ptm -116.25 144.31 44.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.07 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -134.24 -170.11 2.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' 1590 ' ' ASN . 9.0 m-20 -108.08 -47.22 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.241 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' 1516 ' ' GLN . 0.7 OUTLIER 54.33 -146.71 0.54 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 -179.157 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.513 ' HA2' ' C ' ' A' 1622 ' ' ASP . . . -55.55 82.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.298 -0.953 . . . . 0.0 111.518 178.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' 1514 ' ' CYS . 64.3 tt0 -43.11 129.72 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.928 0.394 . . . . 0.0 111.586 -178.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 26.2 mmt -120.34 141.04 50.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.847 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -92.83 153.82 18.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.65 147.88 50.05 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -84.12 149.08 26.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' 1631 ' ' PRO . 8.1 mp 54.56 29.95 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.338 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.91 74.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.88 91.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.227 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.3 t -176.37 -11.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.798 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.61 130.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 49.8 m -73.06 165.66 24.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -72.38 -10.59 59.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.9 mt-10 -107.35 -26.65 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 43.5 m -58.79 -24.83 62.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.738 HH22 HD23 ' A' 1646 ' ' LEU . 50.2 ttp180 -104.19 -34.12 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.674 ' HE3' HD13 ' A' 1653 ' ' ILE . 21.3 tptm -64.92 -34.41 78.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' 1528 ' ' GLU . 47.1 mt-30 -57.52 -17.35 13.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.054 0.454 . . . . 0.0 110.372 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.637 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 97.0 m -83.85 -42.35 16.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.687 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.46 ' HB2' ' CE ' ' A' 1602 ' ' MET . . . -66.23 -24.11 66.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.346 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 48.7 t -82.82 -5.45 58.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.049 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.637 ' HE2' ' HA ' ' A' 1533 ' ' THR . 52.2 mtmt -77.49 149.04 77.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.64 -9.96 27.64 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.562 2.175 . . . . 0.0 112.26 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.58 ' HB2' ' HZ2' ' A' 1604 ' ' LYS . 11.0 pt-20 -87.54 -3.51 58.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.487 HD12 ' HA2' ' A' 1603 ' ' GLY . 41.0 mm -117.14 102.85 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.407 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -74.03 -57.78 3.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.62 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.499 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -113.69 159.13 20.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.411 0.624 . . . . 0.0 112.105 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.539 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -151.85 104.01 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.676 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.749 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.4 OUTLIER -149.63 -177.6 5.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.147 0.499 . . . . 0.0 112.227 -178.74 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.569 ' HA ' HD22 ' A' 1600 ' ' LEU . 14.5 tmtt? -111.89 122.16 47.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.656 HG11 HD11 ' A' 1580 ' ' ILE . 37.7 t -119.58 170.77 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.939 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.638 ' N ' HG12 ' A' 1545 ' ' VAL . 20.8 t -150.05 119.12 6.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.386 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.627 HD13 ' HB2' ' A' 1561 ' ' ALA . 33.6 mm -56.28 141.62 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.025 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 34.7 p -129.65 -18.22 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.291 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.7 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 68.5 m -150.55 154.83 38.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.342 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.424 HG12 ' HB2' ' A' 1595 ' ' LYS . 42.1 mm -121.76 138.5 51.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.845 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 59.6 m -123.57 121.29 35.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.194 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 86.5 t -109.48 133.92 53.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' 1556 ' ' PHE . 8.9 tp10 -141.28 7.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.537 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 70.24 -75.49 0.07 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 52.9 t -61.56 -67.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.98 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.493 ' O ' ' HB3' ' A' 1553 ' ' GLU . 15.7 m-85 -109.7 102.86 11.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.003 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 62.1 t -84.37 137.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.79 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.615 ' HG2' HG22 ' A' 1583 ' ' ILE . 59.4 mttm -125.79 157.33 37.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.14 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.423 ' CD2' HD12 ' A' 1593 ' ' LEU . 95.1 m-85 -135.29 133.82 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.7 ' HB3' ' HB2' ' A' 1549 ' ' SER . 22.7 tptm -95.58 116.82 29.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.627 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -122.49 152.76 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 111.557 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . 0.562 ' C ' HG13 ' A' 1545 ' ' VAL . 2.4 m -115.66 117.08 29.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.833 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.786 HD21 HG12 ' A' 1566 ' ' ILE . 11.0 tp -66.49 103.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.164 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' 1546 ' ' SER . 4.4 mm? -63.91 -53.89 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.639 0.257 . . . . 0.0 111.59 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.9 t70 -149.47 154.1 38.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.153 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.786 HG12 HD21 ' A' 1563 ' ' LEU . 54.1 mt -103.38 138.5 27.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.005 0.431 . . . . 0.0 111.84 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.493 ' HB3' HG21 ' A' 1653 ' ' ILE . 31.7 m-85 -113.76 -20.04 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.539 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 65.1 tttm -153.02 104.47 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.537 179.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 63.1 m -40.41 144.43 0.24 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.187 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.816 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -97.58 130.5 10.26 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.39 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -58.61 -27.3 64.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.322 . . . . 0.0 110.664 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -90.83 41.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.528 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 69.2 t 57.53 92.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.257 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.816 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -116.5 128.11 55.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.429 ' C ' HD11 ' A' 1566 ' ' ILE . 19.0 mm-40 -127.85 151.47 49.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.008 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -68.12 136.02 53.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.529 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.48 ' HA ' ' O ' ' A' 1563 ' ' LEU . 15.5 t70 63.0 24.41 14.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.054 0.454 . . . . 0.0 110.509 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 28.2 t -76.96 -167.99 0.97 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.523 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -120.09 127.08 52.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.466 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.676 HD12 ' HE1' ' A' 1582 ' ' PHE . 29.9 pt -136.2 144.09 34.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.969 0.414 . . . . 0.0 111.836 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 25.3 m -120.93 133.14 55.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.665 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.676 ' HE1' HD12 ' A' 1580 ' ' ILE . 29.6 m-85 -122.71 109.35 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.244 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.615 HG22 ' HG2' ' A' 1558 ' ' LYS . 34.7 pt -87.87 168.27 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.586 ' HB2' HD23 ' A' 1621 ' ' LEU . 5.5 tmmm? -169.91 144.36 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 111.136 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.519 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -83.65 133.74 34.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.931 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 14.9 p -57.95 -15.56 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.2 p -60.18 -14.49 17.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.433 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 63.5 m -62.12 159.14 15.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.833 0.349 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 56.2 p -139.79 1.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' 1513 ' ' ASP . 2.9 t-20 -135.04 -24.98 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -80.97 113.39 19.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -143.36 138.09 29.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.759 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.423 HD12 ' CD2' ' A' 1559 ' ' TYR . 87.9 mt -125.48 153.03 44.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.681 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 61.9 t -127.19 142.44 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.424 ' HB2' HG12 ' A' 1550 ' ' ILE . 39.3 ttpt -78.21 142.54 37.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 88.33 -9.37 75.6 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.613 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.681 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 81.7 mtt180 -95.8 158.75 15.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.985 0.421 . . . . 0.0 111.367 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.544 ' HB3' ' HE2' ' A' 1544 ' ' LYS . 26.6 mt-30 -97.77 119.53 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.669 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -116.2 129.9 56.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.088 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 1.0 OUTLIER -86.61 131.49 34.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.38 178.783 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.575 ' N ' HD13 ' A' 1600 ' ' LEU . 76.4 mt -124.11 132.72 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.46 ' CE ' ' HB2' ' A' 1534 ' ' ALA . 69.2 mtp -149.16 113.08 5.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.986 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.487 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -175.46 -158.17 18.61 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 119.954 -1.117 . . . . 0.0 113.645 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.58 ' HZ2' ' HB2' ' A' 1538 ' ' GLU . 47.3 mmtm -54.81 -177.36 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 111.842 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 10.1 pt-20 -99.58 55.82 0.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.178 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . 58.09 -175.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.382 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.402 ' HG ' ' HG3' ' A' 1620 ' ' PRO . 98.5 mt -121.24 94.6 4.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.549 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.465 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 45.1 mt-30 -64.59 115.1 4.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.12 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.657 HD12 ' HD1' ' A' 1615 ' ' PHE . 14.2 pt -141.94 12.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.959 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 1.7 tmtp? -54.22 99.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.997 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -148.21 -13.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.54 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . 0.518 ' HB2' ' HD2' ' A' 1615 ' ' PHE . 35.6 m-80 -143.32 -169.04 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.711 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -89.2 13.32 13.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.247 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.3 p -134.53 7.34 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.657 ' HD1' HD12 ' A' 1609 ' ' ILE . 61.6 m-85 -133.02 157.26 45.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.606 ' HG3' HG23 ' A' 1618 ' ' ILE . 16.1 ptm180 176.28 -154.53 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.847 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.465 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 35.3 m-85 -81.54 28.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.732 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.606 HG23 ' HG3' ' A' 1616 ' ' ARG . 28.2 pt -55.97 143.71 8.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' 1582 ' ' PHE . 30.1 m-85 -94.79 131.86 29.66 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.197 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . 0.402 ' HG3' ' HG ' ' A' 1607 ' ' LEU . 89.3 Cg_endo -78.61 -168.71 0.65 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.693 2.262 . . . . 0.0 112.153 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.586 HD23 ' HB2' ' A' 1584 ' ' LYS . 43.9 tp -160.98 104.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.552 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 11.0 m-20 -135.41 -162.41 1.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' 1514 ' ' CYS . 66.2 p -86.22 -24.63 25.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.716 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' 1625 ' ' THR . 1.8 pt? -67.08 -38.07 85.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.842 0.353 . . . . 0.0 111.004 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.623 ' H ' HD23 ' A' 1624 ' ' LEU . 35.2 m -70.2 119.86 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -66.06 130.37 43.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.07 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 67.9 mt -132.33 129.97 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.665 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.594 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 9.4 tp10 -128.93 154.2 46.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.977 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.548 ' HE2' ' HD3' ' A' 1597 ' ' ARG . 62.5 t80 -98.19 135.24 40.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.777 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.481 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 2.6 t-105 -109.31 103.09 51.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.762 ' HB3' HD11 ' A' 1521 ' ' LEU . 8.7 Cg_endo -50.69 109.12 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.81 2.34 . . . . 0.0 112.247 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.546 ' HD3' ' HA ' ' A' 1597 ' ' ARG . 85.0 mtm180 -56.18 -50.24 71.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.8 133.44 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 70.1 p -123.01 5.55 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 75.8 p -125.03 66.98 1.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 83.2 m -72.29 -38.39 68.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 79.6 p -163.4 -52.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.1 p -162.89 4.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 27.7 p -119.44 -175.12 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.84 ' HB3' ' HB2' ' A' 1643 ' ' LEU . 26.0 mm-40 -106.25 -41.58 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.993 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . 0.542 ' O ' HD22 ' A' 1643 ' ' LEU . . . 68.1 99.91 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.43 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.631 ' HB3' ' HG3' ' A' 1631 ' ' PRO . 56.4 t80 74.75 -29.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.816 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.84 ' HB2' ' HB3' ' A' 1640 ' ' GLN . 2.0 mm? -70.4 -4.36 22.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -87.23 -30.17 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -83.46 -21.22 32.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.738 HD23 HH22 ' A' 1530 ' ' ARG . 97.8 mt -77.81 -30.58 51.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.89 -35.03 79.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.574 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' 1652 ' ' ASP . 44.9 mt-10 -73.27 -24.05 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.755 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' 1653 ' ' ILE . 89.4 t80 -91.86 -21.55 20.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.792 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.6 -67.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.357 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -70.01 -7.21 39.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.088 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' 1648 ' ' GLU . 20.4 t70 -75.63 -70.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.731 HD12 ' HA2' ' A' 1657 ' ' GLY . 7.3 tp -61.03 -24.79 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 110.834 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 61.7 t80 -74.02 -55.05 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.034 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 40.5 tp -81.63 -63.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.61 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -64.26 -71.5 0.17 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.117 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.731 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 66.38 -176.38 18.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.563 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 41.3 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 54.4 m 59.83 99.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.854 0.359 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 47.6 t60 -71.89 128.16 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.2 tpt -154.13 120.34 5.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -141.87 136.11 30.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.532 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 9.8 m-20 -71.73 -80.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.006 -179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.47 ' O ' ' HB3' ' A' 1588 ' ' CYS . 39.7 t 48.18 84.96 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.55 -179.501 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . 93.31 46.73 3.21 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.843 -179.269 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -45.67 111.11 0.31 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.519 -0.34 . . . . 0.0 111.187 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 95.2 mmm -79.79 -178.69 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -129.92 150.68 51.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' 1519 ' ' GLU . 0.9 OUTLIER -54.32 148.03 12.37 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.023 179.911 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.46 117.34 25.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 97.1 mt 59.75 102.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.288 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.489 ' OD1' HG23 ' A' 1524 ' ' THR . 40.5 t0 -159.79 130.59 5.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.577 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 93.0 mt -89.05 15.12 9.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.488 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . 0.489 HG23 ' OD1' ' A' 1522 ' ' ASP . 68.9 p -84.5 0.43 49.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.822 0.344 . . . . 0.0 111.058 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.48 131.36 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.7 p -93.66 178.88 5.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -90.46 -7.55 52.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.2 mt-10 -95.44 -43.04 8.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.2 m -55.69 -35.5 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.585 HH22 HD23 ' A' 1646 ' ' LEU . 71.9 mtm180 -75.35 -33.13 61.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.648 ' HD2' ' HB3' ' A' 1534 ' ' ALA . 22.6 tptm -72.43 -28.96 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' 1528 ' ' GLU . 76.9 mt-30 -59.57 -18.64 42.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.802 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 77.7 m -100.19 -27.52 13.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.552 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.648 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -68.01 -21.68 65.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.203 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.6 t -88.98 -7.42 56.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.012 -179.816 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' 1533 ' ' THR . 55.0 mtmt -85.96 150.86 53.75 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.797 179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.15 -13.54 19.94 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.614 2.209 . . . . 0.0 112.566 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' 1604 ' ' LYS . 7.5 tp10 -68.87 -9.61 52.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.991 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.639 HG21 ' HG2' ' A' 1602 ' ' MET . 33.5 mm -121.29 145.71 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 -179.759 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.61 ' HB1' ' HG3' ' A' 1605 ' ' GLU . . . -122.15 -34.78 3.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.2 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.853 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.3 p90 -138.4 159.78 41.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.359 0.6 . . . . 0.0 112.075 -179.198 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.55 ' HB2' ' HG3' ' A' 1602 ' ' MET . . . -150.56 109.28 3.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.399 179.03 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.776 ' HB2' HD11 ' A' 1563 ' ' LEU . 0.7 OUTLIER -154.61 -179.54 8.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.891 0.376 . . . . 0.0 111.811 -178.469 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' 1563 ' ' LEU . 0.0 OUTLIER -117.78 129.43 55.68 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.252 0.549 . . . . 0.0 110.541 179.708 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.636 HG12 ' N ' ' A' 1546 ' ' SER . 23.4 t -122.26 171.94 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.408 -178.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.636 ' N ' HG12 ' A' 1545 ' ' VAL . 22.9 t -144.56 115.36 7.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.18 178.603 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.601 HD13 ' HB2' ' A' 1561 ' ' ALA . 41.1 mm -55.38 143.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.304 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 73.6 p -135.83 -25.64 1.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.392 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.822 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 32.5 t -150.33 158.7 44.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.005 0.431 . . . . 0.0 111.28 -179.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.2 mt -137.21 116.8 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.3 m -104.55 131.71 51.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 9.2 p -102.39 142.78 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' 1554 ' ' ASN . 9.1 tp10 -143.36 165.05 28.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . 0.472 ' O ' ' HB ' ' A' 1555 ' ' VAL . 2.3 m-20 -75.02 121.62 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.816 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.472 ' HB ' ' O ' ' A' 1554 ' ' ASN . 92.3 t 74.81 -38.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.478 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -111.48 -174.83 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 11.2 p -164.17 143.35 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.487 ' HG2' HD13 ' A' 1583 ' ' ILE . 87.8 mttt -124.57 142.26 51.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 -179.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 88.3 m-85 -124.08 126.11 45.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.736 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.822 ' HB2' ' HB3' ' A' 1549 ' ' SER . 75.7 mmtt -93.83 104.94 16.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.601 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -121.92 141.77 50.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . 0.502 ' C ' HG13 ' A' 1545 ' ' VAL . 5.3 m -97.52 118.01 33.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.776 HD11 ' HB2' ' A' 1543 ' ' TYR . 10.0 tp -68.65 104.43 1.98 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' 1562 ' ' THR . 4.4 mm? -68.13 -42.46 80.14 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -177.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.646 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 8.4 m-20 -150.94 155.42 39.07 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.171 -0.612 . . . . 0.0 112.39 -179.079 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.599 ' CD1' HD21 ' A' 1563 ' ' LEU . 8.9 mm -106.64 127.58 61.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.4 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.674 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 86.8 m-85 -112.41 -22.81 10.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 178.571 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.516 ' HB3' ' N ' ' A' 1542 ' ' ALA . 2.2 tmtp? -151.23 107.21 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.224 179.056 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . 0.851 HG22 ' H ' ' A' 1571 ' ' GLU . 16.4 m -43.12 134.91 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.392 -178.656 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.853 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -81.94 1.21 87.22 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.445 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.851 ' H ' HG22 ' A' 1569 ' ' THR . 6.9 tp10 72.65 -41.51 0.51 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.609 0.364 . . . . 0.0 111.679 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -97.53 83.95 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.325 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 94.4 t 46.57 81.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.332 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.561 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -103.7 134.75 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.58 179.562 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.826 ' HB3' ' HB3' ' A' 1578 ' ' SER . 9.9 tp10 -140.28 143.17 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.24 -179.616 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.646 ' HB2' ' HA ' ' A' 1565 ' ' ASP . 14.5 ptmm? -80.73 44.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.491 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.536 ' HB3' ' O ' ' A' 1576 ' ' LYS . 3.9 p30 169.83 19.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.752 -179.456 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.826 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 47.5 p -73.97 -167.26 0.47 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.142 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -128.81 114.92 17.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.319 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.552 HD11 HG21 ' A' 1545 ' ' VAL . 19.0 pt -113.68 143.65 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.772 -179.48 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 2.6 m -116.27 125.55 52.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.644 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.521 ' HB3' HD11 ' A' 1621 ' ' LEU . 12.2 m-85 -91.95 115.54 28.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.14 0.495 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.811 HG13 HD12 ' A' 1618 ' ' ILE . 1.7 mm -98.01 123.95 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.455 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.787 ' HB2' HD12 ' A' 1621 ' ' LEU . 35.0 ttpt -144.19 162.09 37.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.978 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.512 ' N ' ' HG2' ' A' 1584 ' ' LYS . 95.9 mttt -103.92 -179.31 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' 1555 ' ' VAL . 17.2 m -88.64 4.92 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.084 179.783 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.1 p -90.21 -42.95 10.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' 1584 ' ' LYS . 2.0 m -59.59 99.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.665 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 89.5 m -86.47 -32.62 20.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.352 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.532 ' OD1' ' HA ' ' A' 1513 ' ' ASP . 17.5 m120 -71.65 -45.25 62.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.328 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -63.19 112.28 2.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -136.84 150.85 48.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.792 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.72 166.83 22.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 94.1 t -137.75 135.27 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.007 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.46 ' HA ' ' CG2' ' A' 1547 ' ' ILE . 27.9 ttpp -68.92 141.77 54.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 61.91 55.46 28.19 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.413 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -156.55 133.24 10.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.725 0.298 . . . . 0.0 110.935 -179.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -67.38 130.08 41.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.037 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -128.68 121.02 27.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.555 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.697 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 53.7 tp -76.93 141.43 40.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.731 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.49 HG22 ' HE1' ' A' 1541 ' ' TYR . 62.5 mt -135.4 142.05 40.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.095 0.474 . . . . 0.0 111.788 -179.015 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.639 ' HG2' HG21 ' A' 1539 ' ' ILE . 31.3 ttp -159.91 109.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.146 179.626 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' 1539 ' ' ILE . . . -179.48 -177.82 48.02 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 119.903 -1.141 . . . . 0.0 113.709 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' 1538 ' ' GLU . 32.4 mmmt -52.91 161.17 0.82 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.974 0.416 . . . . 0.0 111.704 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.61 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 39.0 mt-10 -64.52 -171.0 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.301 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -97.65 -170.47 2.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.049 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.76 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -149.38 123.04 9.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.105 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.73 HG22 ' HB3' ' A' 1616 ' ' ARG . 9.6 tp -137.09 -12.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.68 -179.118 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.749 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 61.6 tttm 59.41 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 50.4 t80 -66.05 -77.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.706 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -139.25 102.92 4.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 179.651 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 59.79 13.4 3.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 56.3 m -155.71 135.95 13.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.749 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 26.0 p90 -60.82 145.0 51.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.73 ' HB3' HG22 ' A' 1609 ' ' ILE . 78.1 ttt180 -106.5 99.41 8.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.705 179.805 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -96.31 97.24 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.811 HD12 HG13 ' A' 1583 ' ' ILE . 24.5 pt -114.12 128.33 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.617 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.508 ' CE1' HG22 ' A' 1580 ' ' ILE . 43.9 m-85 -84.76 116.06 63.59 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 -179.3 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.78 -177.41 3.12 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.71 2.273 . . . . 0.0 112.578 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.787 HD12 ' HB2' ' A' 1584 ' ' LYS . 92.7 mt -137.9 81.82 1.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.465 ' O ' ' HA2' ' A' 1515 ' ' GLY . 10.0 m-20 -99.99 179.14 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 72.9 p -63.65 -19.25 64.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' 1625 ' ' THR . 1.4 pp -85.06 -14.85 45.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.042 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.573 ' N ' HD12 ' A' 1624 ' ' LEU . 48.9 m -70.17 98.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.602 ' HB3' ' HB3' ' A' 1602 ' ' MET . 58.8 t-105 -71.29 115.13 10.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.025 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.5 mt -122.35 124.87 71.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.626 179.63 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.697 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 10.3 tp10 -126.16 118.65 25.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.34 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 6.8 t80 -61.9 120.38 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -107.65 107.37 60.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.339 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.415 ' CG ' HD21 ' A' 1643 ' ' LEU . 87.4 Cg_exo -46.82 110.57 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.578 2.185 . . . . 0.0 112.359 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -51.96 -31.08 27.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.197 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -115.1 144.91 42.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.848 HG22 HD13 ' A' 1643 ' ' LEU . 42.9 p -112.88 -28.63 7.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.036 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 68.0 p -88.09 28.34 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.347 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 82.5 m -55.57 -64.88 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 77.5 p -168.14 -57.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.767 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 36.7 t -167.35 12.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.695 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 82.2 m -90.23 10.63 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.453 ' CB ' HD12 ' A' 1643 ' ' LEU . 4.7 pt20 -84.85 15.84 3.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.68 80.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 84.7 t80 -64.9 -20.17 66.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.742 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.848 HD13 HG22 ' A' 1634 ' ' THR . 65.6 mt -76.42 2.22 14.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.121 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -94.77 -40.15 9.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.751 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -68.48 -20.41 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.585 HD23 HH22 ' A' 1530 ' ' ARG . 84.4 mt -73.52 -30.8 63.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.654 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.38 -36.08 81.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . 0.434 ' OE2' ' HB3' ' A' 1527 ' ' ALA . 40.4 tt0 -64.07 -36.89 85.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.65 179.801 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.66 ' HB2' ' HB1' ' A' 1527 ' ' ALA . 90.0 t80 -87.81 -15.09 37.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.615 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -53.17 -59.4 4.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.648 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . 0.494 ' HG3' HD12 ' A' 1655 ' ' LEU . 1.9 tp10 -91.19 -6.81 52.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.613 -179.211 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' 1649 ' ' PHE . 17.6 t70 -79.5 -17.95 53.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.834 0.349 . . . . 0.0 110.797 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.481 HD12 ' HE3' ' A' 1531 ' ' LYS . 7.9 tp -98.01 -23.15 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.747 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 57.4 t80 -90.84 -50.24 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.573 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.494 HD12 ' HG3' ' A' 1651 ' ' GLU . 33.8 mt -84.76 -53.13 5.56 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.057 -179.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.614 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -91.46 10.02 29.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.132 -179.567 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . -51.93 145.4 15.75 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.859 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.972 179.925 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 52.2 m -146.18 9.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.653 0.263 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 66.1 m80 59.46 -175.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.0 mmt -108.01 156.17 19.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -95.13 101.47 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.444 ' HB3' HD22 ' A' 1590 ' ' ASN . 4.8 p-10 -72.41 129.74 39.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.042 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 63.2 m -97.0 32.71 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.184 0.516 . . . . 0.0 110.328 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 126.67 74.44 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.13 -179.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -51.38 108.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.523 ' HE2' ' HB1' ' A' 1591 ' ' ALA . 26.4 mmt -56.82 120.61 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -64.03 176.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.453 ' HB3' ' OD1' ' A' 1522 ' ' ASP . 2.1 mp0 -62.17 172.56 1.4 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -96.47 -85.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' 1639 ' ' CYS . 6.7 mp -103.37 103.06 13.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.228 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.453 ' OD1' ' HB3' ' A' 1519 ' ' GLU . 3.3 m-20 -142.38 106.88 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.546 179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.503 HD23 ' HD1' ' A' 1642 ' ' PHE . 22.2 mt -72.02 1.93 6.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 71.1 p -73.99 -19.16 60.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.057 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 66.0 mt -99.52 136.81 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.054 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 53.5 m -90.46 178.72 6.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' 1649 ' ' PHE . . . -92.61 -26.43 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' 1532 ' ' GLN . 14.7 mm-40 -77.73 -33.99 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 55.1 m -61.13 -31.93 71.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.543 HH22 HD13 ' A' 1646 ' ' LEU . 82.9 mtm180 -85.79 -35.38 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.521 ' O ' ' HD3' ' A' 1531 ' ' LYS . 12.4 tmtt? -62.5 -38.19 88.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' 1528 ' ' GLU . 80.2 mt-30 -58.31 -18.8 29.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.567 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.798 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 48.6 m -87.24 -26.24 23.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.838 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.88 92.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.3 t -89.17 2.75 53.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.971 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.798 ' HE3' ' HA ' ' A' 1533 ' ' THR . 36.6 ttmt -61.31 140.67 94.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.595 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' 1536 ' ' LYS . 11.6 Cg_endo -54.92 -44.27 51.29 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.727 2.285 . . . . 0.0 112.81 -179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.422 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.7 pt-20 -69.3 -4.56 18.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.594 HG13 HG22 ' A' 1533 ' ' THR . 39.6 mm -112.87 120.95 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -88.21 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.731 -179.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.871 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.9 p90 -107.32 162.09 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.165 0.507 . . . . 0.0 112.037 -179.008 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.605 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.1 97.64 2.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.174 179.301 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.719 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 3.7 p90 -150.07 170.67 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.092 0.472 . . . . 0.0 111.761 -179.395 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.47 ' HZ1' ' NE2' ' A' 1598 ' ' GLN . 60.6 tttm -106.22 135.14 48.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.454 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' 1563 ' ' LEU . 26.0 m -130.68 -175.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 111.378 -179.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.815 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.8 t -149.68 128.92 12.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.985 -179.781 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.537 HD11 HD22 ' A' 1593 ' ' LEU . 44.3 mm -67.54 143.0 15.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.663 179.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . 0.436 HG22 ' HA ' ' A' 1561 ' ' ALA . 6.5 t -137.23 -19.1 1.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.788 -179.685 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.891 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 32.3 t -154.2 156.5 37.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.025 0.44 . . . . 0.0 111.56 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.425 HG12 ' HD1' ' A' 1559 ' ' TYR . 79.8 mt -142.71 123.97 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.488 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 88.4 m -132.38 130.18 40.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.384 . . . . 0.0 111.395 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.51 HG23 HG22 ' A' 1557 ' ' VAL . 5.0 p -119.76 132.13 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.75 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -93.22 -86.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.134 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 16.1 m120 -136.38 -74.83 0.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.006 -179.723 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 89.6 t -95.24 -41.16 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -98.1 127.0 43.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.223 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.51 HG22 HG23 ' A' 1552 ' ' VAL . 47.6 t -96.26 146.01 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.513 179.503 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.821 ' HG2' HG22 ' A' 1583 ' ' ILE . 90.3 mttt -124.28 151.68 43.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 111.354 -179.436 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.425 ' HD1' HG12 ' A' 1550 ' ' ILE . 99.5 m-85 -134.51 119.69 18.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.746 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.891 ' HB3' ' HB3' ' A' 1549 ' ' SER . 47.1 tptt -93.98 110.92 22.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.472 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.436 ' HA ' HG22 ' A' 1548 ' ' THR . . . -127.24 164.68 21.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.953 0.406 . . . . 0.0 111.403 -179.641 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . 0.416 HG22 ' O ' ' A' 1563 ' ' LEU . 1.5 m -118.75 133.58 55.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.953 179.662 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.829 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.0 tt -63.68 148.5 48.88 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.815 HD11 ' HB2' ' A' 1546 ' ' SER . 91.5 mt -108.3 -53.62 2.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.157 179.518 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.56 ' O ' ' HB2' ' A' 1543 ' ' TYR . 10.6 m-20 -156.52 140.55 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.091 179.452 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.719 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 70.8 mt -98.88 126.36 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.428 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.678 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -102.42 -20.58 14.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.352 0.596 . . . . 0.0 109.41 178.644 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.605 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.8 tttp -151.82 124.53 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.807 179.228 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . 0.53 HG22 ' H ' ' A' 1571 ' ' GLU . 3.7 m -48.28 159.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.034 0.445 . . . . 0.0 111.812 -179.134 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.871 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -102.2 -0.2 50.93 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.014 -179.35 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.53 ' H ' HG22 ' A' 1569 ' ' THR . 44.4 mt-10 74.56 -44.44 0.55 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.74 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -88.29 46.35 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.978 0.418 . . . . 0.0 110.182 179.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 80.6 t 63.14 88.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.182 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.555 ' HB1' HD13 ' A' 1566 ' ' ILE . . . -98.36 129.29 45.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.39 179.429 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.517 ' HB2' ' HB3' ' A' 1578 ' ' SER . 18.4 mm-40 -125.68 142.8 51.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.264 -179.491 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.462 ' HE2' ' OD1' ' A' 1565 ' ' ASP . 60.4 tttm -59.5 139.67 56.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.963 179.21 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.782 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.3 p30 48.32 32.88 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.039 0.447 . . . . 0.0 111.223 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 61.4 p -68.82 -166.01 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.668 179.316 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . 0.484 ' CD ' ' HE3' ' A' 1560 ' ' LYS . 9.6 tp10 -112.15 122.92 49.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.44 179.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.664 HD12 ' HE1' ' A' 1582 ' ' PHE . 39.6 pt -122.41 142.72 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 111.825 -179.46 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 29.9 m -135.7 110.13 8.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.471 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.664 ' HE1' HD12 ' A' 1580 ' ' ILE . 61.7 m-85 -101.23 127.42 47.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 111.503 -179.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.821 HG22 ' HG2' ' A' 1558 ' ' LYS . 48.6 pt -118.71 152.92 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.987 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.688 ' HB3' HD23 ' A' 1621 ' ' LEU . 22.3 pttp -148.4 176.83 9.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.492 ' HD3' ' N ' ' A' 1585 ' ' LYS . 0.0 OUTLIER -89.94 -168.49 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.5 p -97.54 -21.86 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.6 p -68.15 -16.1 63.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.298 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.465 ' HB2' ' H ' ' A' 1589 ' ' THR . 2.7 m -58.94 -85.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . 0.465 ' H ' ' HB2' ' A' 1588 ' ' CYS . 4.3 m 57.37 14.79 2.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.088 179.772 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.444 HD22 ' HB3' ' A' 1513 ' ' ASP . 82.7 m-20 -124.48 -29.55 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.523 ' HB1' ' HE2' ' A' 1517 ' ' MET . . . -103.17 98.64 8.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 179.823 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -135.74 119.4 17.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.537 HD22 HD11 ' A' 1547 ' ' ILE . 3.2 mp -98.02 119.36 36.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.496 HG12 ' OH ' ' A' 1599 ' ' TYR . 11.3 p -65.96 144.67 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' 1595 ' ' LYS . 6.0 ttpm? -82.14 113.75 20.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 131.26 -28.24 3.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.669 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -90.34 172.74 8.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.937 0.398 . . . . 0.0 111.224 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.47 ' NE2' ' HZ1' ' A' 1544 ' ' LYS . 20.7 mt-30 -116.07 146.64 42.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.611 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.496 ' OH ' HG12 ' A' 1594 ' ' VAL . 96.4 m-85 -141.16 158.81 43.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.057 0.456 . . . . 0.0 111.551 -179.536 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' 1543 ' ' TYR . 61.2 tp -106.28 123.92 48.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.989 179.226 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.533 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.5 mt -114.44 134.2 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.077 0.465 . . . . 0.0 112.02 -179.121 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . . . . . . . . . 66.0 mtp -147.27 112.68 5.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.073 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.528 ' HA2' HD12 ' A' 1539 ' ' ILE . . . 176.27 -166.46 37.52 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.097 -1.049 . . . . 0.0 113.52 -179.556 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -48.67 151.33 1.18 Allowed 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.889 0.376 . . . . 0.0 111.447 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -73.47 -173.53 1.44 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.075 -179.822 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.404 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -84.72 148.18 26.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.071 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' 1607 ' ' LEU . 7.2 mp -89.28 115.93 27.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.496 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 38.7 mt-30 -72.35 122.69 21.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.832 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.821 HG13 ' HB3' ' A' 1615 ' ' PHE . 12.7 pt -141.2 3.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.428 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.87 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 39.7 ttpt -49.75 109.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 81.3 t80 -105.66 -61.45 1.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.736 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 44.2 t30 -159.65 80.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.025 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 54.97 18.63 2.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.47 179.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.5 t -116.61 -20.72 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 111.014 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.821 ' HB3' HG13 ' A' 1609 ' ' ILE . 91.3 m-85 -140.61 -173.75 3.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.773 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.87 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 39.0 ptt180 171.37 -164.9 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -179.331 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.496 ' CE2' ' HG2' ' A' 1608 ' ' GLN . 2.9 m-85 -75.75 89.6 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.61 179.725 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 46.7 pt -105.16 149.88 8.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.816 0.341 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.52 ' O ' ' HA ' ' A' 1582 ' ' PHE . 52.5 m-85 -100.91 130.14 25.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -77.64 -167.23 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.587 2.191 . . . . 0.0 112.104 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.688 HD23 ' HB3' ' A' 1584 ' ' LYS . 49.6 tp -163.44 102.33 0.94 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.695 ' HB2' HD22 ' A' 1624 ' ' LEU . 9.5 m-20 -133.77 -164.48 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.802 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.2 p -80.41 10.83 4.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.709 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.695 HD22 ' HB2' ' A' 1622 ' ' ASP . 1.4 pt? -108.8 -2.68 18.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.819 0.343 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 58.7 m -85.7 129.27 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -95.31 112.26 24.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' 1600 ' ' LEU . 69.5 mt -123.82 127.26 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.87 120.71 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.717 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.455 ' HA ' ' CD1' ' A' 1599 ' ' TYR . 15.7 t80 -61.37 114.86 3.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.497 ' CZ2' ' HB3' ' A' 1646 ' ' LEU . 3.2 t90 -105.78 97.46 15.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.034 179.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.43 ' HB2' HD21 ' A' 1643 ' ' LEU . 87.2 Cg_exo -44.42 103.48 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.778 2.318 . . . . 0.0 112.592 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.41 ' HA ' ' NE2' ' A' 1598 ' ' GLN . 31.7 ptt180 -57.17 -24.46 54.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.916 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.73 126.77 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.577 HG22 HD13 ' A' 1643 ' ' LEU . 71.5 p -106.72 22.65 15.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.244 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 1.8 t -158.15 84.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.042 0.449 . . . . 0.0 111.317 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.443 ' HB2' ' SG ' ' A' 1639 ' ' CYS . 74.6 m -139.76 -77.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.906 179.779 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.5 t -171.04 107.0 0.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 54.4 m 57.28 19.75 5.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.208 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.481 ' HA ' HD21 ' A' 1521 ' ' LEU . 82.4 m -85.99 -36.9 19.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.03 -25.15 64.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -55.75 -29.66 59.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.269 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.503 ' HD1' HD23 ' A' 1523 ' ' LEU . 90.4 t80 -94.32 -33.6 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.59 ' HA ' HD23 ' A' 1646 ' ' LEU . 65.2 mt -65.15 -12.49 51.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.3 74.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -75.21 -29.54 60.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' 1643 ' ' LEU . 3.8 mm? -68.93 -28.39 66.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.85 -43.86 91.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.08 -25.34 68.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.457 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 84.5 t80 -87.27 -29.97 21.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -69.69 -23.14 63.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.279 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -98.14 -34.42 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.28 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.789 ' HA ' HD21 ' A' 1656 ' ' ASN . 14.3 t70 -53.6 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.549 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.696 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 8.5 tp -55.67 -26.17 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.614 -179.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . 0.525 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 13.8 t80 -76.52 -32.29 58.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.479 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.525 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 93.2 mt -99.07 -74.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.907 0.385 . . . . 0.0 111.363 -178.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.789 HD21 ' HA ' ' A' 1652 ' ' ASP . 1.8 p30 -76.15 -55.52 5.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.417 -179.62 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.696 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 61.92 -158.53 33.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . 0.505 ' HB2' ' HZ1' ' A' 1531 ' ' LYS . 44.1 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . 0.407 ' OG ' HG22 ' A' 1587 ' ' THR . 47.8 t 65.52 134.53 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.962 0.41 . . . . 0.0 111.207 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.1 m80 -66.58 -20.8 66.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.0 tpt 60.77 101.41 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -123.74 148.57 46.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.866 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' 1590 ' ' ASN . 9.5 m-20 -75.41 -40.63 57.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.264 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' 1516 ' ' GLN . 97.7 m 59.43 -152.82 0.39 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.168 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -53.13 84.57 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.883 178.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' 1514 ' ' CYS . 29.5 tt0 -43.59 -31.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.43 0.292 . . . . 0.0 111.36 -179.508 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' 1516 ' ' GLN . 25.1 ptm 44.3 -162.96 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.598 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . 0.686 ' HA ' HE21 ' A' 1518 ' ' GLN . 0.0 OUTLIER -134.38 165.41 25.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.11 167.81 6.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.42 -80.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.07 105.72 17.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -136.82 105.46 5.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 73.2 mt -97.57 99.66 11.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.23 -179.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 10.1 t -176.25 -20.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.6 mt -90.09 118.83 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 80.7 p -80.16 171.79 14.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.08 -1.19 38.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -104.74 -36.47 7.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 89.7 m -64.06 -45.03 90.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.627 ' NH2' HD13 ' A' 1600 ' ' LEU . 16.1 ptm180 -78.82 -10.77 59.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.015 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.715 ' HE2' HD13 ' A' 1653 ' ' ILE . 27.4 tptp -86.03 -24.7 26.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' 1528 ' ' GLU . 84.8 mm-40 -59.26 -16.48 21.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.955 0.407 . . . . 0.0 110.655 179.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.81 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 50.9 m -90.88 -30.24 17.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.953 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.592 ' HB3' ' HD2' ' A' 1531 ' ' LYS . . . -68.5 -26.6 65.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.0 t -85.5 0.6 51.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.993 -179.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.81 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.0 mtmt -90.65 142.23 27.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' 1536 ' ' LYS . 32.4 Cg_exo -58.29 -24.93 70.2 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.61 -33.2 73.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.706 HG13 HG22 ' A' 1533 ' ' THR . 41.0 mm -99.05 106.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.438 ' H ' ' HA ' ' A' 1604 ' ' LYS . . . -78.68 -58.21 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.474 ' HE1' HG22 ' A' 1601 ' ' ILE . 2.0 p90 -108.17 163.09 13.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.325 0.583 . . . . 0.0 111.955 -179.231 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.625 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -154.8 121.16 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.222 179.25 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' 1565 ' ' ASP . 0.6 OUTLIER -170.2 -176.77 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.259 0.552 . . . . 0.0 112.264 -179.176 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -112.96 126.87 55.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.373 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' 1563 ' ' LEU . 17.4 m -121.01 -179.69 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.351 -179.715 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.716 ' HB2' HD11 ' A' 1564 ' ' LEU . 21.7 t -152.28 125.71 8.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' 1561 ' ' ALA . 40.4 mm -66.71 143.46 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.804 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 70.7 p -131.43 -22.03 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.59 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.808 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 47.2 t -150.73 160.6 43.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.972 0.415 . . . . 0.0 111.232 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 83.4 mt -135.96 115.12 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . 0.881 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 50.7 m -97.28 126.07 42.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.22 -179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.645 HG22 HG13 ' A' 1557 ' ' VAL . 93.4 t -125.52 128.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.995 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -115.69 -75.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -147.71 -69.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 30.7 t -104.94 -46.29 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -90.72 108.55 19.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.645 HG13 HG22 ' A' 1552 ' ' VAL . 61.8 t -92.92 108.55 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.714 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.881 ' HB2' ' HB ' ' A' 1551 ' ' THR . 34.1 mmtp -79.02 159.04 27.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.974 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -140.51 121.46 14.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.808 ' HB3' ' HB3' ' A' 1549 ' ' SER . 24.4 tptm -94.17 123.72 37.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.524 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.08 -179.9 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 111.674 -179.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 4.2 m -142.67 127.45 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.714 HD21 HG12 ' A' 1566 ' ' ILE . 14.3 tp -67.84 107.8 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.601 179.729 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' 1546 ' ' SER . 85.3 mt -63.41 -49.48 73.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.287 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' 1543 ' ' TYR . 18.4 t70 -158.74 149.32 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.714 HG12 HD21 ' A' 1563 ' ' LEU . 53.2 mt -87.97 139.82 16.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 121.153 0.501 . . . . 0.0 112.105 -179.349 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' 1542 ' ' ALA . 17.6 m-85 -116.91 -20.94 9.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.022 178.105 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 63.0 tttp -162.34 108.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.415 179.5 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 91.3 m -41.39 142.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.344 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.794 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -95.45 132.43 11.09 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.163 179.805 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.36 -27.98 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.844 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -89.73 41.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.638 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 79.6 t 55.75 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.227 -179.539 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.794 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.53 133.12 55.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.661 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.592 ' O ' HD23 ' A' 1563 ' ' LEU . 40.1 mt-10 -131.66 152.94 50.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.851 -179.737 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.547 ' N ' HD11 ' A' 1566 ' ' ILE . 9.2 ptpp? -62.78 148.76 45.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.438 179.777 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.1 p30 47.55 29.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.337 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 32.5 t -79.6 -168.89 1.71 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.591 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -109.42 143.94 38.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.483 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.48 HD12 ' CE2' ' A' 1582 ' ' PHE . 4.1 pt -148.13 149.97 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 111.797 -179.243 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 59.4 m -134.19 117.67 16.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.629 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.614 ' HA ' ' O ' ' A' 1619 ' ' TYR . 67.6 m-85 -108.7 123.42 48.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.343 0.592 . . . . 0.0 111.364 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.518 HG12 ' HD2' ' A' 1558 ' ' LYS . 33.7 mt -92.23 133.87 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.323 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.42 ' HB2' HD12 ' A' 1621 ' ' LEU . 28.7 ttpt -134.61 142.59 46.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.31 179.291 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -90.09 159.33 16.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.5 p -69.11 -26.11 31.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . 0.407 HG22 ' OG ' ' A' 1509 ' ' SER . 74.6 p -72.54 -13.89 61.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 67.0 m -65.55 112.75 3.75 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 52.3 m -110.59 -30.23 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' 1513 ' ' ASP . 17.3 m120 -86.37 -22.8 26.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -93.06 106.73 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.976 179.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -114.95 141.18 48.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.989 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.7 mt -138.63 119.91 14.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.537 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 58.5 t -104.34 138.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.516 ' NZ ' ' HB3' ' A' 1595 ' ' LYS . 5.9 ttpm? -79.68 121.18 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 106.67 -8.01 39.61 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.684 179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.537 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 90.2 mtt180 -99.17 172.66 7.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.99 0.424 . . . . 0.0 111.4 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.557 ' HG2' HD11 ' A' 1564 ' ' LEU . 48.0 mt-30 -109.88 138.11 46.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.766 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -142.18 129.91 21.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.342 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.627 HD13 ' NH2' ' A' 1530 ' ' ARG . 6.0 tt -80.29 139.64 36.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.618 ' N ' HD23 ' A' 1600 ' ' LEU . 86.2 mt -133.19 137.69 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.203 0.525 . . . . 0.0 112.178 -179.219 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.569 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 77.2 mtp -142.19 117.7 10.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.984 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.493 ' N ' HG23 ' A' 1539 ' ' ILE . . . -171.29 176.4 44.59 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.138 -1.03 . . . . 0.0 113.29 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.625 ' HD2' ' N ' ' A' 1604 ' ' LYS . 0.0 OUTLIER -61.54 177.44 0.39 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.944 0.402 . . . . 0.0 111.215 -179.795 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.844 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.0 pt-20 -70.38 176.12 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.083 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.468 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -89.67 -171.72 3.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.8 mt -109.56 -171.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.412 ' HB3' ' CE1' ' A' 1617 ' ' TYR . 20.3 pt20 -161.47 110.39 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.731 HG22 ' HB2' ' A' 1616 ' ' ARG . 9.7 tp -118.76 -8.55 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.458 -179.351 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.86 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 17.5 tppt? 62.21 111.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 78.0 t80 -150.6 -60.48 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -68.38 -75.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -147.83 -68.61 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 50.3 m -97.16 68.15 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.86 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 97.3 m-85 59.13 177.27 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.234 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.731 ' HB2' HG22 ' A' 1609 ' ' ILE . 1.1 mmp_? -117.85 97.96 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.987 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' 1608 ' ' GLN . 4.8 m-85 -100.87 81.59 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.826 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 40.5 pt -103.09 161.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.614 ' O ' ' HA ' ' A' 1582 ' ' PHE . 24.4 m-85 -121.79 119.62 28.95 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.63 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -77.9 -173.57 1.87 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.29 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.42 HD12 ' HB2' ' A' 1584 ' ' LYS . 97.0 mt -144.59 94.2 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.711 179.663 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.513 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 9.8 m-20 -115.27 -174.3 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' 1514 ' ' CYS . 78.7 p -68.92 -8.86 48.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.676 -179.456 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.513 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 1.1 pt? -98.02 -7.88 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.334 . . . . 0.0 110.994 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 63.2 m -77.33 111.44 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.569 ' HB3' ' HB2' ' A' 1602 ' ' MET . 62.6 t-105 -72.82 116.39 13.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' 1600 ' ' LEU . 70.0 mt -133.99 105.68 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -108.15 122.25 46.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.475 ' O ' ' HD3' ' A' 1631 ' ' PRO . 67.5 t80 -58.0 122.92 14.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -96.57 104.29 17.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.138 179.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.741 ' HB2' HD21 ' A' 1643 ' ' LEU . 87.4 Cg_exo -47.2 99.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.586 2.191 . . . . 0.0 112.519 -179.546 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.516 ' O ' ' HD3' ' A' 1632 ' ' ARG . 3.7 tmt_? -61.37 -38.66 87.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.674 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.68 134.6 33.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.0 p -138.79 3.68 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 69.5 p -136.76 19.5 3.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 80.8 m -109.31 -47.71 3.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 75.9 p -138.69 -163.38 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 34.8 t -81.43 19.56 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.022 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 75.0 m -81.1 1.02 33.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.783 ' HA ' HD23 ' A' 1643 ' ' LEU . 20.6 pt20 -87.25 4.61 41.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -84.48 -29.44 26.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.547 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 58.5 t80 -68.33 -28.19 66.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.761 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -69.9 -28.87 65.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 -179.836 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.73 71.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.084 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -80.17 -14.49 58.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.736 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.77 -26.18 21.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -61.38 -40.8 95.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' 1652 ' ' ASP . 41.1 tt0 -66.69 -31.42 72.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' 1653 ' ' ILE . 88.4 t80 -79.81 -25.27 40.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.792 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -60.37 -66.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.294 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -69.31 -4.24 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.143 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.608 ' HA ' HD21 ' A' 1656 ' ' ASN . 10.4 t70 -79.43 -74.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.715 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.5 tp -60.79 -29.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.203 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 54.4 t80 -70.83 -39.58 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.368 -179.655 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' 1655 ' ' LEU . 2.3 tm? -105.17 -75.07 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.91 0.386 . . . . 0.0 111.072 -179.233 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.608 HD21 ' HA ' ' A' 1652 ' ' ASP . 3.7 p30 -81.72 28.26 0.42 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.574 -179.393 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . -59.98 158.36 25.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.554 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.903 -179.989 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.123 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 53.7 m 58.56 21.25 8.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.662 0.268 . . . . 0.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 69.6 m-70 62.11 106.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 52.2 ttm -65.36 128.53 36.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.094 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -137.1 137.77 39.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.829 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.87 -81.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.26 -179.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.462 ' O ' ' HB3' ' A' 1588 ' ' CYS . 42.8 t 47.0 77.98 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.044 0.449 . . . . 0.0 110.221 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.672 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 103.52 40.65 2.33 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.595 -178.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.516 ' HA ' ' OD1' ' A' 1590 ' ' ASN . 8.6 tt0 -49.3 112.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.288 -0.456 . . . . 0.0 111.179 -179.561 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' 1515 ' ' GLY . 86.5 mtp -102.41 178.93 4.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -101.89 161.28 13.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.0 -178.9 0.83 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -85.34 -87.19 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.083 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' 1637 ' ' SER . 60.6 mt -101.39 99.54 9.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.57 ' HB3' HG22 ' A' 1524 ' ' THR . 3.9 m-20 -147.58 102.1 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.585 179.703 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.28 8.35 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.974 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . 0.57 HG22 ' HB3' ' A' 1522 ' ' ASP . 6.5 t -66.7 -26.43 67.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.494 HG13 HG23 ' A' 1524 ' ' THR . 66.2 mt -94.25 132.6 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.998 179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.6 m -85.57 176.59 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.29 -31.15 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' 1532 ' ' GLN . 45.6 mt-10 -78.94 -29.91 44.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 46.3 m -61.86 -26.19 67.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.517 HH22 HD12 ' A' 1646 ' ' LEU . 33.4 mtm180 -95.42 -34.86 11.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.724 ' HE3' HD13 ' A' 1653 ' ' ILE . 22.2 tptm -64.77 -39.28 93.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' 1536 ' ' LYS . 49.9 mt-30 -59.25 -17.94 32.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.521 179.646 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.837 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 96.8 m -80.93 -40.95 23.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.798 179.618 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.532 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -63.39 -30.57 71.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.224 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 99.6 m -75.3 -23.14 57.3 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.837 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.9 mtmt -61.52 148.98 85.3 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.28 -11.33 31.81 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.536 2.157 . . . . 0.0 112.387 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.489 ' O ' HD13 ' A' 1539 ' ' ILE . 12.2 pt-20 -83.34 2.69 35.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.546 HG23 ' N ' ' A' 1603 ' ' GLY . 41.3 mm -128.75 113.62 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.09 -62.15 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.464 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.533 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.6 p90 -104.46 159.04 16.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.733 -179.096 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.75 98.82 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.236 179.5 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.73 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 6.8 p90 -148.29 176.82 9.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.072 0.463 . . . . 0.0 111.9 -179.208 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 83.3 tttt -115.09 133.58 55.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.418 179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.825 HG12 ' HA ' ' A' 1563 ' ' LEU . 16.8 m -130.07 -173.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.367 . . . . 0.0 111.377 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 11.2 t -152.14 126.98 9.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.779 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.467 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.2 mm -59.52 145.78 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 69.9 p -132.38 -16.4 2.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.63 -179.636 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.745 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 36.0 t -162.09 159.51 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 111.498 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -137.54 113.5 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.616 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 60.4 m -100.79 137.36 39.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.321 -179.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 87.2 t -135.27 123.33 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.04 -81.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -149.73 -67.81 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.998 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' 1586 ' ' VAL . 66.2 t -105.38 -34.08 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.185 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -99.28 113.43 25.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.158 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.577 ' HB ' ' HG3' ' A' 1584 ' ' LYS . 47.9 t -91.92 147.86 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.628 179.769 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.823 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.7 mttt -132.89 152.39 51.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.926 0.393 . . . . 0.0 111.346 -179.633 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.611 ' HE2' ' HD3' ' A' 1584 ' ' LYS . 98.9 m-85 -138.08 112.51 8.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.689 179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.745 ' HB3' ' HB3' ' A' 1549 ' ' SER . 24.2 tptm -89.3 127.19 35.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.501 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.467 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -141.05 160.1 40.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 111.615 -179.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -113.34 138.06 50.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.027 179.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.825 ' HA ' HG12 ' A' 1545 ' ' VAL . 6.0 tt -71.45 139.73 49.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.624 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.608 ' N ' HD23 ' A' 1563 ' ' LEU . 9.2 mp -97.96 -56.46 2.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.969 0.414 . . . . 0.0 110.476 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' A' 1543 ' ' TYR . 9.3 m-20 -154.51 148.05 25.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.269 179.722 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.73 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 62.5 mt -107.04 129.45 60.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 111.902 -179.637 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.519 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 95.7 m-85 -102.45 -19.44 14.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.747 178.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.635 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.7 tttp -148.71 113.46 5.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.029 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 85.8 m -47.04 147.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.17 0.51 . . . . 0.0 111.759 -179.293 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.801 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.39 133.86 11.5 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.222 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 35.5 mt-10 -58.08 -27.24 63.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.742 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.82 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -91.1 40.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.427 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.4 t 56.2 89.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.227 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.801 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.38 128.56 54.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.707 179.573 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.431 ' O ' HD13 ' A' 1563 ' ' LEU . 19.8 mm-40 -128.07 144.63 51.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.912 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.608 ' HE3' ' HB ' ' A' 1566 ' ' ILE . 12.6 mptt -59.09 127.73 33.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.516 179.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.745 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.2 t70 64.65 42.23 4.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.061 0.458 . . . . 0.0 110.827 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.536 ' H ' ' HB3' ' A' 1563 ' ' LEU . 60.3 p -87.72 -165.84 1.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.762 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -113.69 134.85 54.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.771 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.68 HD12 ' HE1' ' A' 1582 ' ' PHE . 31.9 pt -139.23 140.53 37.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.493 -179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 37.9 m -132.9 120.7 21.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.77 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.68 ' HE1' HD12 ' A' 1580 ' ' ILE . 61.8 m-85 -109.72 118.93 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.123 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.823 HG22 ' HG2' ' A' 1558 ' ' LYS . 40.2 pt -105.6 169.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.611 ' HD3' ' HE2' ' A' 1559 ' ' TYR . 19.3 ptmt -170.01 -170.95 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 111.055 -179.615 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' 1585 ' ' LYS . 12.4 mptt -115.17 -175.61 2.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.654 179.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' 1555 ' ' VAL . 28.3 m -95.84 15.8 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.9 p -108.55 -24.46 11.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.465 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' 1514 ' ' CYS . 8.0 m -69.75 88.7 0.54 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.91 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 21.9 m -93.56 69.19 4.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.516 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 22.3 t-20 -173.37 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.672 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -95.74 96.74 9.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.894 0.378 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -126.43 137.62 53.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.462 HD13 HD11 ' A' 1547 ' ' ILE . 85.7 mt -123.43 140.07 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 57.3 t -101.63 133.37 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.998 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.58 133.25 55.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 65.48 64.05 3.71 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.549 ' HE ' ' HE1' ' A' 1629 ' ' TYR . 32.6 ttt180 -157.36 145.05 18.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.684 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -82.71 137.45 34.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.988 0.423 . . . . 0.0 111.589 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.523 ' OH ' ' HD3' ' A' 1597 ' ' ARG . 75.2 m-85 -146.25 139.95 26.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.849 179.761 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' 1627 ' ' ILE . 47.0 tp -85.6 136.67 33.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.38 179.518 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.533 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.4 mt -134.66 125.8 46.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.951 0.405 . . . . 0.0 111.933 -179.531 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.532 ' SD ' ' HB2' ' A' 1534 ' ' ALA . 41.9 mtm -143.38 114.95 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.875 179.174 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.546 ' N ' HG23 ' A' 1539 ' ' ILE . . . -170.86 179.39 42.82 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.11 -1.043 . . . . 0.0 113.324 -179.295 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' 1538 ' ' GLU . 13.6 mmmm -57.5 170.49 0.54 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.82 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.1 pt-20 -61.58 176.18 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -92.87 -177.09 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.254 -179.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.3 mt -81.97 -163.33 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.785 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -146.61 94.69 2.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.216 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 2.5 mm -109.86 18.88 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.406 -179.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 63.1 pttt -51.3 150.77 3.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.564 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 40.9 p90 -164.98 6.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.182 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . 0.557 HD21 ' HB2' ' A' 1614 ' ' SER . 5.0 p-10 -162.8 -161.22 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.813 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -69.51 4.79 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.44 -179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . 0.557 ' HB2' HD21 ' A' 1612 ' ' ASN . 52.4 m -143.04 93.43 2.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.447 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 28.7 p90 -57.14 161.18 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.98 179.659 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -132.67 96.02 3.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.073 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -93.81 101.07 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 37.3 pt -103.15 162.81 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.016 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 43.1 m-85 -112.84 138.31 22.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.64 -21.28 19.37 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.558 2.172 . . . . 0.0 112.375 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' 1583 ' ' ILE . 61.3 tp 57.01 97.53 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -146.87 -167.56 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.068 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 65.7 p -59.67 -32.07 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.179 -179.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 47.9 tp -61.8 -27.96 69.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.837 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 30.6 m -77.65 106.36 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.196 -179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -76.02 103.6 6.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.575 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' 1600 ' ' LEU . 65.8 mt -116.52 134.21 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -134.48 145.03 48.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.549 ' HE1' ' HE ' ' A' 1597 ' ' ARG . 10.1 t80 -76.99 119.72 21.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.463 ' CE3' HD23 ' A' 1646 ' ' LEU . 2.4 t-105 -104.73 101.59 29.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.135 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.708 ' HB2' HD11 ' A' 1643 ' ' LEU . 80.7 Cg_exo -45.26 111.06 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.64 2.227 . . . . 0.0 112.392 -179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.509 ' HD2' ' HG3' ' A' 1597 ' ' ARG . 80.8 mtp180 -47.63 -37.05 11.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.366 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . 0.555 ' OD2' HG22 ' A' 1635 ' ' THR . 7.7 t70 -146.67 176.92 9.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.787 ' HB ' ' HB3' ' A' 1640 ' ' GLN . 72.9 p -88.28 -39.37 14.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.295 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.555 HG22 ' OD2' ' A' 1633 ' ' ASP . 8.8 t -83.55 -6.36 59.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.145 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.5 t -69.97 -56.57 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . 0.531 ' HB3' HD11 ' A' 1521 ' ' LEU . 52.8 m -88.51 5.18 43.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 53.0 m 59.24 17.4 5.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 52.3 t -150.52 105.35 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.787 ' HB3' ' HB ' ' A' 1634 ' ' THR . 0.4 OUTLIER -93.71 4.08 54.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.55 -14.57 61.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.767 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.431 ' O ' HD13 ' A' 1646 ' ' LEU . 54.3 t80 -90.95 -32.86 15.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.78 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.736 HD23 ' HA ' ' A' 1640 ' ' GLN . 3.0 mm? -72.01 -23.03 61.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.807 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.66 -20.1 60.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -87.03 -48.32 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.767 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.517 HD12 HH22 ' A' 1530 ' ' ARG . 9.9 mp -63.69 -27.07 68.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 179.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.69 -25.17 67.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -74.29 -35.04 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.658 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.458 ' O ' HG22 ' A' 1653 ' ' ILE . 82.6 t80 -72.92 -25.03 60.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.683 179.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.92 -63.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.288 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.39 -8.13 54.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -74.45 -69.24 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.786 HD12 ' HA2' ' A' 1657 ' ' GLY . 6.0 tp -62.07 -27.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 64.2 t80 -71.46 -53.81 12.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.275 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 40.6 tp -82.07 -63.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.637 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -64.71 -72.32 0.15 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.092 -179.793 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.786 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 73.23 152.6 2.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.553 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 77.8 m . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.974 -179.983 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 79.2 p -145.88 -179.91 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -86.9 -39.48 15.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 51.7 ttm -93.89 138.85 31.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -146.17 143.99 29.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.474 ' HA ' ' CG ' ' A' 1590 ' ' ASN . 4.7 p-10 -93.23 29.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.068 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.51 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 14.3 t -50.11 105.05 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.419 179.578 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 80.52 42.0 10.71 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.81 -179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -44.62 116.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.868 0.366 . . . . 0.0 111.247 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 63.7 mtt -100.01 153.43 19.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . 0.677 ' HA ' HE21 ' A' 1518 ' ' GLN . 0.0 OUTLIER -91.74 177.93 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.9 147.86 51.91 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.65 -20.81 64.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 68.8 mt -149.41 99.91 2.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.809 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -133.33 105.32 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.739 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 64.6 mt -81.99 10.7 6.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.007 -179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 73.7 p -86.47 -40.9 14.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 74.5 mt -77.92 130.77 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 87.7 p -88.63 -173.76 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -87.38 1.59 52.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.3 mt-10 -117.77 -30.76 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 85.4 m -62.98 -37.28 86.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.268 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.412 ' HB2' ' CZ2' ' A' 1626 ' ' TRP . 19.9 ptt180 -98.18 -5.07 34.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.8 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.552 ' NZ ' ' HA ' ' A' 1653 ' ' ILE . 1.5 tmtp? -84.04 -31.06 25.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.678 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.7 mm-40 -54.03 -27.31 31.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.941 0.401 . . . . 0.0 110.443 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.648 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 89.3 m -74.17 -32.45 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.852 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -67.75 2.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.629 -179.729 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 42.3 t -131.03 -11.97 3.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.659 0.266 . . . . 0.0 111.482 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.648 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.1 mtmt -60.04 153.73 54.17 Favored Pre-proline 0 C--N 1.332 -0.162 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.17 -28.78 73.53 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.678 2.252 . . . . 0.0 112.147 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -71.55 -12.34 61.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.603 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.629 HG13 HG22 ' A' 1533 ' ' THR . 40.7 mm -115.41 135.32 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.194 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' 1603 ' ' GLY . . . -104.25 -67.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.342 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.52 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.3 p90 -98.88 158.12 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.585 -179.297 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.637 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -146.34 98.48 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.258 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.685 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 4.8 p90 -151.68 169.75 21.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.076 0.465 . . . . 0.0 111.942 -179.389 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 83.1 tttt -102.31 138.04 39.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.702 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.921 HG12 ' HA ' ' A' 1563 ' ' LEU . 33.9 m -137.54 175.14 10.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.313 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.468 ' CB ' HD11 ' A' 1564 ' ' LEU . 11.3 t -142.11 142.04 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.806 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.495 HD13 ' HB2' ' A' 1561 ' ' ALA . 38.5 mm -84.77 137.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.624 179.663 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 34.5 p -130.84 -42.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.431 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.577 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 71.1 m -119.03 142.39 47.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.322 -179.377 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.8 129.34 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 60.4 m -136.72 139.1 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.182 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.63 HG22 HG13 ' A' 1557 ' ' VAL . 90.8 t -121.18 124.97 73.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 179.844 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -92.29 -82.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -149.74 -71.86 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 24.5 t -100.4 -32.03 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -108.8 113.0 25.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.63 HG13 HG22 ' A' 1552 ' ' VAL . 32.0 t -82.04 132.07 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.76 179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.665 ' HA ' HG22 ' A' 1583 ' ' ILE . 32.6 mmtp -98.99 144.3 28.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.465 -179.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.519 ' HB2' ' O ' ' A' 1582 ' ' PHE . 68.1 m-85 -140.46 122.06 15.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.792 179.424 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.577 ' HB2' ' HB2' ' A' 1549 ' ' SER . 14.4 mmmm -107.1 126.32 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.429 179.625 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.495 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -133.03 179.22 6.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.002 0.43 . . . . 0.0 111.652 -179.62 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 6.7 m -128.9 142.18 51.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.921 ' HA ' HG12 ' A' 1545 ' ' VAL . 1.0 OUTLIER -78.43 98.59 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.548 HD13 ' HA ' ' A' 1545 ' ' VAL . 8.0 mp -58.44 -44.04 89.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.663 0.268 . . . . 0.0 111.117 -179.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.3 t70 -171.7 143.89 1.76 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.722 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.685 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 63.2 mt -96.1 130.78 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.013 0.435 . . . . 0.0 112.054 -179.452 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.6 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 55.8 m-85 -107.98 -17.47 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.518 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.637 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 86.7 tttt -157.38 113.45 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.799 179.093 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 37.5 m -46.19 147.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.168 0.509 . . . . 0.0 111.666 -179.316 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.722 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -109.92 135.47 12.89 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.376 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.595 ' HB2' ' HG2' ' A' 1605 ' ' GLU . 38.6 mt-10 -62.5 -18.85 62.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.625 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' 1605 ' ' GLU . . . -86.6 42.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.509 179.479 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 78.2 t 53.18 73.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.725 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.722 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -89.52 147.9 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.63 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.439 ' O ' HD13 ' A' 1563 ' ' LEU . 9.9 tp10 -154.81 137.59 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -49.24 117.56 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.626 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.6 t70 65.19 48.45 2.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.967 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.419 ' OG ' HD12 ' A' 1563 ' ' LEU . 60.0 p -88.65 -165.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.539 179.288 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -118.75 117.68 29.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.715 179.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.583 HD13 HG11 ' A' 1545 ' ' VAL . 28.0 pt -113.35 144.13 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.225 -179.723 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . 0.42 HG23 ' HD2' ' A' 1560 ' ' LYS . 2.9 m -127.05 100.86 6.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.256 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.644 ' HA ' ' O ' ' A' 1619 ' ' TYR . 50.3 m-85 -98.27 135.42 39.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.702 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.665 HG22 ' HA ' ' A' 1558 ' ' LYS . 35.6 pt -134.47 152.76 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.96 0.41 . . . . 0.0 111.618 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.641 ' NZ ' ' HA ' ' A' 1586 ' ' VAL . 7.9 ptmm? -126.91 170.89 11.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.035 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.547 ' O ' HG12 ' A' 1586 ' ' VAL . 97.7 mttt -93.67 31.05 1.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.113 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.641 ' HA ' ' NZ ' ' A' 1584 ' ' LYS . 4.3 p 46.69 20.52 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.872 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . 0.503 HG23 ' O ' ' A' 1585 ' ' LYS . 41.7 p -121.44 -24.14 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.129 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.51 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 13.2 m -60.38 111.82 1.71 Allowed 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.774 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 78.3 m -95.43 -33.12 12.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.421 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.559 HD22 ' N ' ' A' 1590 ' ' ASN . 0.9 OUTLIER -79.47 7.0 8.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.185 -179.742 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -137.08 109.4 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.181 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.16 108.68 8.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 89.6 mt -93.37 141.01 28.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 8.3 p -138.18 140.41 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.058 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.464 ' O ' ' HD3' ' A' 1595 ' ' LYS . 0.0 OUTLIER -67.81 155.2 39.87 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 93.13 -31.31 6.39 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.598 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -95.28 171.84 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 111.322 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -121.82 143.75 49.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.774 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -140.56 141.95 35.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.354 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' 1627 ' ' ILE . 57.6 tp -90.06 127.16 36.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.829 179.134 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.52 HG22 ' HE1' ' A' 1541 ' ' TYR . 73.4 mt -122.53 131.54 73.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.174 0.512 . . . . 0.0 112.304 -179.012 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.45 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 31.0 mtm -145.01 115.9 7.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.567 179.006 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.538 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -175.72 -171.73 39.88 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 119.872 -1.156 . . . . 0.0 113.784 -179.255 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -46.89 158.81 0.12 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.94 0.4 . . . . 0.0 111.601 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' 1572 ' ' ALA . 0.0 OUTLIER -81.47 43.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.622 -179.527 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . 50.19 -165.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.097 0.475 . . . . 0.0 111.614 179.449 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' 1607 ' ' LEU . 6.4 mp -94.48 171.23 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.25 179.438 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' 1615 ' ' PHE . 2.2 pt20 -128.78 3.86 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.535 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 1.0 OUTLIER -149.35 79.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.98 0.419 . . . . 0.0 111.541 -179.879 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.601 ' HB3' ' HB3' ' A' 1616 ' ' ARG . 64.7 tttp -67.19 -17.25 64.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.675 179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -116.96 172.54 7.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -73.72 -53.97 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.786 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -94.77 -39.9 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 39.7 t -82.62 172.75 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.559 ' HB2' ' O ' ' A' 1608 ' ' GLN . 45.7 p90 -133.79 139.04 46.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.601 ' HB3' ' HB3' ' A' 1610 ' ' LYS . 31.1 tpt180 -150.65 150.62 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.712 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -104.62 114.4 28.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.459 -179.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.453 HG21 ' HD2' ' A' 1610 ' ' LYS . 47.3 pt -136.02 132.77 50.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.372 178.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.644 ' O ' ' HA ' ' A' 1582 ' ' PHE . 9.3 m-85 -80.09 120.62 80.26 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.395 -178.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -85.55 -168.74 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.834 2.356 . . . . 0.0 112.441 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' 1584 ' ' LYS . 82.3 mt -144.91 103.98 3.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 179.741 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -129.55 179.0 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.4 p -69.12 -16.19 63.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' 1625 ' ' THR . 1.9 pp -85.7 -10.31 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.097 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.484 ' N ' HD12 ' A' 1624 ' ' LEU . 62.4 m -78.05 110.14 12.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.018 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' 1601 ' ' ILE . 68.6 t-105 -74.54 113.43 11.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' 1600 ' ' LEU . 67.7 mt -131.19 109.29 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.91 120.28 34.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.453 ' O ' ' HD3' ' A' 1631 ' ' PRO . 87.6 t80 -57.96 128.15 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 -179.886 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -94.02 107.04 25.45 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.346 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.557 ' HB2' HD21 ' A' 1643 ' ' LEU . 75.4 Cg_exo -50.14 113.91 1.2 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.586 2.19 . . . . 0.0 112.546 -179.691 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -79.68 -28.87 40.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.712 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . 0.416 ' HB3' ' SG ' ' A' 1636 ' ' CYS . 10.0 m-20 -80.71 127.83 32.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.482 HG22 ' HG ' ' A' 1643 ' ' LEU . 77.1 p -134.49 -28.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 76.1 p -93.11 8.83 38.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' 1633 ' ' ASP . 76.6 m -87.98 101.95 14.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 47.2 t 59.03 -87.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.243 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 35.2 t -169.78 23.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.808 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 83.4 m -75.81 8.42 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.196 -179.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.743 ' HA ' HD23 ' A' 1643 ' ' LEU . 29.6 pt20 -81.07 9.91 6.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.977 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -61.1 -27.77 68.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.401 ' CD2' ' HG2' ' A' 1631 ' ' PRO . 65.5 t80 -75.29 -38.05 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.78 ' HA ' HD23 ' A' 1646 ' ' LEU . 2.8 mm? -65.4 -16.63 63.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.47 -21.22 65.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -84.82 -33.34 22.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.78 HD23 ' HA ' ' A' 1643 ' ' LEU . 3.5 mm? -64.65 -32.51 74.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.74 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.64 -42.95 99.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.56 -35.74 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.5 ' O ' HG22 ' A' 1653 ' ' ILE . 87.7 t80 -66.69 -31.66 72.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -71.39 -21.7 61.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.398 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -110.26 -3.91 15.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.171 -179.441 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.729 ' HA ' HD22 ' A' 1656 ' ' ASN . 17.1 t70 -91.24 -70.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.552 ' HA ' ' NZ ' ' A' 1531 ' ' LYS . 0.0 OUTLIER -57.76 -28.34 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 62.4 t80 -75.44 -52.67 10.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.419 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.8 tt -84.15 -69.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.392 . . . . 0.0 110.826 -179.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.729 HD22 ' HA ' ' A' 1652 ' ' ASP . 27.6 m-80 -54.18 -77.29 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.31 -179.683 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 69.65 151.82 0.59 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.518 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 8.1 p . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.017 -179.944 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 52.1 m 58.67 -173.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.802 0.334 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.3 m80 59.71 98.85 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 27.2 ttt -165.38 117.47 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -162.98 -70.41 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -163.84 34.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.994 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' 1591 ' ' ALA . 16.1 t -49.73 134.92 19.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.623 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 83.21 -51.77 4.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.26 -179.754 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' A' 1515 ' ' GLY . 23.9 tp60 72.21 -63.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.766 0.426 . . . . 0.0 111.44 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' 1517 ' ' MET . 23.3 ptm 42.41 99.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.23 0.538 . . . . 0.0 111.848 -179.723 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' A' 1518 ' ' GLN . 1.8 mp0 -53.37 162.71 0.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.217 -179.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.38 155.27 15.08 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.06 118.09 23.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.769 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 96.9 mt 59.63 95.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -142.97 121.58 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 88.3 mt -86.21 15.68 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.986 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 77.1 p -86.45 -26.17 24.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.73 138.93 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.087 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 35.9 t -89.64 177.31 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -78.07 -30.8 49.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.225 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.6 mt-10 -82.77 -38.43 23.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.01 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 77.4 m -57.75 -45.86 85.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -70.55 -17.72 62.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.484 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.5 tmtp? -86.57 -23.4 25.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.655 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.9 mm-40 -55.94 -18.43 9.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.666 179.719 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.738 HG22 HG13 ' A' 1539 ' ' ILE . 37.9 m -91.02 -28.37 18.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.581 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -73.18 1.48 9.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.503 -179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.7 t -126.62 -0.8 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.263 -179.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.681 ' HG3' ' HA ' ' A' 1533 ' ' THR . 98.1 mttt -62.92 145.79 95.99 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.804 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.41 -17.9 29.04 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.51 2.14 . . . . 0.0 112.024 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.682 ' HG3' ' HE2' ' A' 1604 ' ' LYS . 36.1 tt0 -85.0 -64.06 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.738 HG13 HG22 ' A' 1533 ' ' THR . 43.6 mm -53.84 109.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.331 -179.735 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.863 ' HB3' ' H ' ' A' 1605 ' ' GLU . . . -78.9 -62.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.41 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.555 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 6.3 p90 -99.71 155.84 17.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.803 -179.049 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -148.12 89.47 1.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.804 179.274 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.753 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 10.1 p90 -141.95 166.61 24.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 112.067 -178.8 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.515 ' NZ ' ' HB3' ' A' 1544 ' ' LYS . 4.6 ttpm? -105.51 134.0 49.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.259 179.508 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.823 HG12 ' HA ' ' A' 1563 ' ' LEU . 36.0 m -125.78 -174.77 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 111.606 -179.63 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.75 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.4 t -150.78 122.72 8.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.772 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.452 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 43.6 mm -64.74 143.07 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 47.7 p -128.63 -32.52 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.439 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.406 ' HA ' ' HE3' ' A' 1595 ' ' LYS . 74.1 m -150.66 152.18 33.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.346 -179.655 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.434 HG12 ' HD1' ' A' 1559 ' ' TYR . 75.8 mt -128.84 137.42 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 60.7 m -138.13 140.56 39.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.518 HG23 HG22 ' A' 1557 ' ' VAL . 9.3 p -142.8 144.77 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -113.3 -66.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -132.99 -71.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' 1556 ' ' PHE . 6.5 m -111.96 -51.23 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.284 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.441 ' N ' HG23 ' A' 1555 ' ' VAL . 90.4 m-85 -71.67 124.34 24.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.821 179.875 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.518 HG22 HG23 ' A' 1552 ' ' VAL . 24.8 t -108.94 110.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.025 -179.792 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' 1558 ' ' LYS . 0.7 OUTLIER -81.66 151.6 27.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.731 179.766 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.434 ' HD1' HG12 ' A' 1550 ' ' ILE . 93.5 m-85 -135.69 111.46 9.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -87.82 108.83 19.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.149 179.379 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.452 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -133.4 156.87 46.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.006 0.431 . . . . 0.0 111.71 -179.366 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.8 m -105.35 136.02 45.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.863 179.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.823 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.7 tt -67.44 140.96 57.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' 1546 ' ' SER . 86.3 mt -98.25 -45.3 6.24 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.999 -179.609 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' 1543 ' ' TYR . 15.2 t70 -167.7 138.57 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.795 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.753 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 64.5 mt -101.61 122.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.96 0.409 . . . . 0.0 111.914 -179.479 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -97.83 -15.68 20.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.529 178.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.411 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 61.9 tttm -153.46 111.16 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.771 179.328 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 58.8 m -43.47 144.65 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.165 0.507 . . . . 0.0 112.058 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.805 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.52 132.33 10.92 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.559 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.477 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 39.9 mt-10 -60.6 -23.71 64.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.449 179.68 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.572 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -96.24 66.42 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.581 179.464 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' 1573 ' ' VAL . 7.6 p 38.31 83.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.07 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.805 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -113.25 130.32 56.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.603 179.471 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' 1578 ' ' SER . 46.1 mt-10 -139.16 155.43 47.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.95 131.68 50.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.791 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.726 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.1 p30 45.84 37.45 3.54 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.614 179.681 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.559 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 53.9 p -77.86 -168.7 1.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 179.515 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -112.52 125.72 54.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.36 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.59 HD11 HG11 ' A' 1545 ' ' VAL . 9.3 pt -143.47 147.22 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.023 0.439 . . . . 0.0 111.963 -179.282 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 40.6 m -124.37 116.61 22.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.661 179.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.854 ' HB3' HD21 ' A' 1621 ' ' LEU . 51.9 m-85 -93.18 120.17 33.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.985 0.421 . . . . 0.0 111.607 -179.631 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.5 HG23 ' HA ' ' A' 1620 ' ' PRO . 6.4 tt -99.99 109.43 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.801 179.448 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' 1621 ' ' LEU . 25.2 ttpp -104.07 151.24 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.998 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.56 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 67.0 mttm -91.76 151.48 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.672 179.768 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 12.3 p -88.5 -18.13 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.774 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 10.2 t -88.32 12.95 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.46 -179.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 64.6 m -78.95 146.54 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 87.4 m -67.62 -73.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.338 -179.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.425 HD22 ' HA ' ' A' 1590 ' ' ASN . 8.6 m120 -121.15 85.45 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 111.462 -179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.623 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -153.65 101.7 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.702 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -137.47 155.96 48.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 75.1 mt -133.99 166.86 21.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 73.6 t -128.56 140.79 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' 1549 ' ' SER . 87.6 tttt -77.15 140.23 40.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.97 61.12 6.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.594 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.545 ' HA ' ' HD2' ' A' 1632 ' ' ARG . 35.1 ttm180 -163.85 153.23 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.0 110.719 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.565 ' HG2' HD11 ' A' 1564 ' ' LEU . 25.0 mt-30 -88.57 133.36 34.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.034 0.445 . . . . 0.0 111.483 -179.565 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.504 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 68.1 m-85 -143.25 125.27 15.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.814 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . . . . . . . . . 51.5 tp -75.58 140.19 42.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.263 179.338 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.562 ' HA ' ' O ' ' A' 1626 ' ' TRP . 97.5 mt -139.69 127.58 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.149 0.499 . . . . 0.0 111.971 -179.404 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.581 ' SD ' ' HB2' ' A' 1534 ' ' ALA . 32.6 mtm -136.44 120.34 17.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.774 179.12 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.449 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -160.51 179.49 35.97 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.161 -1.018 . . . . 0.0 113.445 -178.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.682 ' HE2' ' HG3' ' A' 1538 ' ' GLU . 9.2 ttpt -84.2 92.57 7.98 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.701 0.259 . . . . 0.0 111.701 -179.494 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.863 ' H ' ' HB3' ' A' 1540 ' ' ALA . 13.1 pt-20 40.78 -161.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.128 179.06 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.553 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -128.44 -170.01 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.055 -179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.535 ' HG ' ' HD3' ' A' 1620 ' ' PRO . 85.0 mt -86.07 -165.93 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -169.21 98.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.188 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.641 ' HB ' ' HG3' ' A' 1616 ' ' ARG . 5.1 mm -108.48 -9.26 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.554 -179.289 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 51.3 mtmt 57.0 -173.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -169.89 -74.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 46.5 t30 -168.71 -63.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -110.88 -16.03 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.804 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.7 t -148.37 109.5 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.806 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.468 ' HB2' ' HD2' ' A' 1617 ' ' TYR . 12.4 m-85 -63.18 166.56 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.677 -179.892 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.641 ' HG3' ' HB ' ' A' 1609 ' ' ILE . 26.0 mmm180 -76.23 -71.85 0.36 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.846 0.355 . . . . 0.0 111.179 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.53 ' HA ' ' O ' ' A' 1607 ' ' LEU . 27.8 m-85 59.1 20.51 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.211 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.496 HD12 HG21 ' A' 1583 ' ' ILE . 19.0 pt -59.43 129.44 21.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.879 0.371 . . . . 0.0 111.074 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.553 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 5.9 m-85 -79.22 110.5 15.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.064 -179.604 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . 0.535 ' HD3' ' HG ' ' A' 1607 ' ' LEU . 80.3 Cg_endo -74.88 151.36 40.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.56 2.173 . . . . 0.0 112.343 -179.829 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.854 HD21 ' HB3' ' A' 1582 ' ' PHE . 3.8 mm? -103.59 99.91 9.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 179.564 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.505 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 9.1 m-20 -123.01 -163.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.8 p -70.5 -31.48 68.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.563 -179.42 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 2.4 pt? -78.42 9.85 3.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.504 HG22 HG13 ' A' 1627 ' ' ILE . 68.2 m -95.29 117.85 31.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.562 ' O ' ' HA ' ' A' 1601 ' ' ILE . 51.0 t-105 -90.47 101.08 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.697 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.568 HD11 HD12 ' A' 1621 ' ' LEU . 75.2 mt -109.92 128.88 65.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -143.75 115.2 8.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.461 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 7.5 t80 -58.53 127.72 33.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 1.9 t90 -113.08 100.27 50.92 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.415 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.478 ' HB2' HD11 ' A' 1643 ' ' LEU . 88.5 Cg_exo -47.13 106.39 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.674 2.249 . . . . 0.0 112.456 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.545 ' HD2' ' HA ' ' A' 1597 ' ' ARG . 76.9 mtp180 -55.25 -39.0 69.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.69 157.83 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.075 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.762 HG22 HD13 ' A' 1643 ' ' LEU . 65.1 p -129.17 -11.65 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 7.3 t -132.93 -22.23 2.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.344 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 51.4 t -60.22 -44.87 94.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 80.1 p -105.69 14.02 28.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 55.3 m 59.92 16.54 5.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 51.8 t -91.43 116.28 28.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -149.83 -21.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.83 83.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.494 ' O ' ' HG ' ' A' 1646 ' ' LEU . 90.5 t80 -78.1 -26.28 47.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.664 179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.762 HD13 HG22 ' A' 1634 ' ' THR . 77.2 mt -82.66 -0.77 48.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.066 -179.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.22 -38.0 22.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.74 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -78.09 -28.17 48.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.578 HD12 HD23 ' A' 1643 ' ' LEU . 70.5 mt -68.06 -34.66 76.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.661 179.812 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.79 -42.49 89.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.678 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.45 -41.31 97.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.689 179.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 67.9 t80 -61.99 -34.99 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.027 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.16 82.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.361 -179.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -87.59 -3.59 58.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -179.402 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -82.56 -73.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.084 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.48 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.6 tp -54.75 -26.82 17.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.065 -179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 75.3 t80 -76.01 -51.21 12.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 -179.915 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 30.2 tp -92.85 -65.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.296 -179.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.636 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -55.43 -74.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.452 -179.505 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 70.43 139.2 0.15 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.337 -179.64 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.161 -179.901 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 53.7 m -92.7 -3.68 54.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 67.4 m80 -103.18 -44.97 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 16.2 tpt -98.52 -87.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -178.13 -173.54 0.37 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.969 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -69.04 96.13 0.77 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.78 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.594 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 12.4 t -86.33 107.3 17.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.711 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.79 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 87.8 41.03 6.49 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.325 -179.792 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' 1516 ' ' GLN . 10.5 pt20 -52.11 112.16 0.74 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 82.0 mtp -84.59 151.52 24.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . 0.487 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 4.0 pt20 -91.04 176.07 6.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 15.2 mm-40 -72.48 154.89 40.61 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -86.08 131.02 34.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' 1523 ' ' LEU . 89.9 mt 57.93 24.0 10.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.099 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.633 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 25.9 t70 -57.89 107.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' 1521 ' ' LEU . 77.3 mt -100.74 99.01 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -179.719 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 10.0 t -176.14 -18.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.966 179.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.2 mt -84.69 137.4 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 69.9 m -90.91 151.88 20.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.034 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -56.51 -55.08 38.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.795 179.636 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' 1532 ' ' GLN . 5.5 pt-20 -57.05 -40.22 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.136 179.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . 0.471 ' HA ' HE21 ' A' 1532 ' ' GLN . 89.7 m -57.45 -39.88 77.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 45.6 ttm105 -77.41 -24.42 50.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.614 ' NZ ' ' HB2' ' A' 1658 ' ' CYS . 26.9 tptp -78.43 -24.53 46.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.3 mt-30 -77.79 5.14 10.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.812 179.763 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.764 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 57.9 m -122.73 -25.25 4.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -77.11 1.27 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.228 -179.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 51.2 t -118.87 -22.11 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.16 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.764 ' HE2' ' HA ' ' A' 1533 ' ' THR . 54.1 mtmt -59.11 155.64 32.57 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.6 -13.79 11.6 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.633 2.222 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.502 ' C ' HD12 ' A' 1539 ' ' ILE . 37.9 tt0 -74.04 -33.94 63.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.845 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.9 mp -109.34 110.91 33.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.362 -179.496 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.713 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -84.82 -40.34 17.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.029 179.673 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.518 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.4 p90 -127.45 162.19 26.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.616 -179.468 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -154.89 102.25 2.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.801 179.187 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.762 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.4 p90 -144.42 173.87 11.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.118 0.485 . . . . 0.0 111.964 -178.793 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.62 ' HG2' HD12 ' A' 1564 ' ' LEU . 38.2 ttmt -108.04 129.34 55.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.307 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.729 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.4 m -125.96 179.69 3.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.301 -179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 27.6 t -150.68 116.16 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.606 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 34.0 mm -62.53 147.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.648 179.717 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 4.4 t -152.12 -9.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.692 0.282 . . . . 0.0 111.654 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.811 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 51.7 m -150.37 133.1 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.936 0.398 . . . . 0.0 111.246 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.4 mt -129.57 134.61 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.847 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 91.3 m -134.84 100.7 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.323 -179.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.756 ' HA ' HG13 ' A' 1557 ' ' VAL . 7.6 p -98.96 123.49 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.667 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.85 -72.41 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.073 -179.654 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -163.05 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.071 -179.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.53 HG13 HG13 ' A' 1586 ' ' VAL . 32.4 t -89.89 -45.39 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.224 -179.883 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' 1584 ' ' LYS . 94.0 m-85 -111.92 117.69 33.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.812 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.756 HG13 ' HA ' ' A' 1552 ' ' VAL . 33.1 t -99.3 125.7 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -92.85 117.56 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.777 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 53.0 m-85 -108.38 110.72 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.852 179.52 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.811 ' HB2' ' HB2' ' A' 1549 ' ' SER . 35.0 mmtp -94.69 115.98 28.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.816 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.484 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -131.83 164.45 26.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.376 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 8.9 m -113.35 132.66 55.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.729 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.7 tp -78.59 105.04 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.523 179.653 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.62 HD12 ' HG2' ' A' 1544 ' ' LYS . 81.6 mt -56.16 -45.62 79.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.254 -179.391 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.4 t70 -174.64 158.64 2.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.658 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.762 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 61.6 mt -103.31 133.63 46.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 112.063 -179.626 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.593 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 96.5 m-85 -107.45 -18.6 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.082 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.522 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 23.6 tptm -153.18 104.7 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.634 179.146 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 15.0 t -44.54 150.67 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.028 0.442 . . . . 0.0 111.703 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.681 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -96.88 140.48 15.08 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.406 -179.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.713 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 40.8 mt-10 -52.15 -32.37 35.47 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.994 0.426 . . . . 0.0 110.106 179.669 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.444 ' HB1' ' CE2' ' A' 1617 ' ' TYR . . . -87.75 45.78 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.758 178.779 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' 1573 ' ' VAL . 7.7 p 41.11 82.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.698 -179.403 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.681 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -86.14 144.47 27.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.59 179.466 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' 1563 ' ' LEU . 39.5 tt0 -130.7 145.23 51.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.803 -179.74 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -60.05 153.2 22.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.551 179.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.593 ' HA ' ' O ' ' A' 1563 ' ' LEU . 3.5 p30 46.28 31.19 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.382 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 49.6 p -69.29 -166.89 0.1 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.805 179.579 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -126.89 95.9 4.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.584 179.598 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.639 HD13 HG11 ' A' 1545 ' ' VAL . 25.4 pt -89.63 152.65 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.557 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' 1559 ' ' TYR . 8.2 m -135.24 98.2 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.76 179.546 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.777 ' HB2' ' HB2' ' A' 1559 ' ' TYR . 25.6 m-85 -71.48 110.9 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.251 0.548 . . . . 0.0 110.553 179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.696 HG13 HD12 ' A' 1618 ' ' ILE . 4.2 mm -89.8 121.72 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.797 -179.605 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.724 ' HG3' ' HB2' ' A' 1588 ' ' CYS . 40.3 ttpt -116.17 152.16 34.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.502 ' NZ ' ' HB2' ' A' 1585 ' ' LYS . 10.0 mtmp? -124.23 177.61 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.53 HG13 HG13 ' A' 1555 ' ' VAL . 27.9 m -62.7 -26.7 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.37 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 81.2 p -75.0 -39.97 60.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.724 ' HB2' ' HG3' ' A' 1584 ' ' LYS . 2.7 m -71.0 89.03 0.78 Allowed 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 7.6 t -105.46 -14.01 15.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.27 -23.42 19.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.79 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -86.72 103.65 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.135 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -142.51 127.17 18.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.405 HD13 HD11 ' A' 1547 ' ' ILE . 92.3 mt -118.15 163.66 16.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.028 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.455 ' CG1' ' HD2' ' A' 1597 ' ' ARG . 3.3 p -130.89 134.55 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.606 ' HA ' ' HB ' ' A' 1547 ' ' ILE . 21.4 pttp -67.69 150.69 48.38 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.195 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 95.71 -2.39 64.49 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.455 ' HD2' ' CG1' ' A' 1594 ' ' VAL . 91.8 mtt180 -121.79 174.78 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 111.331 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.607 ' HG3' HH21 ' A' 1632 ' ' ARG . 23.1 mt-30 -120.68 140.76 51.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -136.73 143.07 43.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.411 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.626 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 2.1 tm? -91.52 114.26 26.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.024 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.617 HD13 HG22 ' A' 1545 ' ' VAL . 2.4 mp -113.38 122.97 68.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.057 0.456 . . . . 0.0 111.96 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.673 ' HG3' ' HB3' ' A' 1626 ' ' TRP . 2.7 ptm -145.3 114.16 6.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.307 178.819 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.845 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -173.67 -169.27 35.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.738 -179.478 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 58.4 tptt -48.19 149.32 1.51 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.765 0.317 . . . . 0.0 111.18 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -61.94 174.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.289 -179.809 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -78.03 177.86 7.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.279 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' 1617 ' ' TYR . 4.0 mm? -95.95 -177.22 3.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.41 ' HG2' ' CE1' ' A' 1617 ' ' TYR . 78.8 mt-30 -141.25 77.69 1.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.851 179.769 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.595 HG22 ' H ' ' A' 1616 ' ' ARG . 9.6 tp -54.1 -38.92 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.725 -179.087 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.651 ' H ' ' HA ' ' A' 1615 ' ' PHE . 50.5 tptt 56.32 12.37 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . 0.574 ' HB3' HG13 ' A' 1609 ' ' ILE . 82.3 t80 -118.15 141.94 47.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.722 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 27.5 t-20 61.13 107.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.763 -179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . 0.403 ' HB3' ' NH2' ' A' 1616 ' ' ARG . . . 58.79 28.08 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.655 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 23.3 t 69.0 -175.02 0.2 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.651 ' HA ' ' H ' ' A' 1610 ' ' LYS . 18.2 p90 -46.69 142.99 2.95 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.199 -179.849 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.595 ' H ' HG22 ' A' 1609 ' ' ILE . 24.0 tpp180 -110.98 -22.85 11.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 -179.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' 1607 ' ' LEU . 5.2 m-85 53.13 60.8 3.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.083 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.696 HD12 HG13 ' A' 1583 ' ' ILE . 33.4 pt -83.44 149.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.798 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' 1582 ' ' PHE . 68.5 m-85 -106.27 109.14 62.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.003 -179.612 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.93 175.76 9.29 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.499 2.133 . . . . 0.0 112.318 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' 1582 ' ' PHE . 93.2 mt -130.9 59.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.782 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.5 ' HB2' ' CD2' ' A' 1624 ' ' LEU . 10.3 m-20 -78.37 -165.8 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.015 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.7 p -78.39 -31.41 48.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.753 -179.328 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' 1622 ' ' ASP . 2.1 pt? -75.59 4.51 7.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.744 0.306 . . . . 0.0 111.083 -179.575 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 58.9 m -89.7 109.42 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.017 179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.673 ' HB3' ' HG3' ' A' 1602 ' ' MET . 30.9 t-105 -78.33 113.73 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.802 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 64.9 mt -120.69 113.01 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.626 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 35.3 tt0 -114.04 150.32 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.492 ' O ' ' HD3' ' A' 1631 ' ' PRO . 27.3 t80 -90.35 122.01 32.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.153 179.423 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -101.95 102.13 22.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' 1629 ' ' TYR . 42.5 Cg_exo -56.84 108.37 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.594 2.196 . . . . 0.0 112.303 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.607 HH21 ' HG3' ' A' 1598 ' ' GLN . 36.0 ttm180 -70.97 -24.48 62.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -88.6 146.92 24.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.451 HG22 HD12 ' A' 1643 ' ' LEU . 81.9 p -132.67 -9.25 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 6.8 t -62.89 -23.96 67.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.564 ' HB3' ' HB3' ' A' 1639 ' ' CYS . 52.2 t -79.08 132.04 36.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 54.2 m -81.14 -20.8 40.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 46.7 t -93.34 -5.54 49.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.564 ' HB3' ' HB3' ' A' 1636 ' ' CYS . 52.6 t -111.47 -28.38 8.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -62.81 -25.79 68.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.73 70.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.317 -179.766 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.458 ' HA ' HD21 ' A' 1645 ' ' ASN . 67.9 t80 -66.44 -45.38 80.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.466 HD21 ' HD2' ' A' 1631 ' ' PRO . 83.5 mt -70.3 -12.6 61.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.021 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.68 -57.99 3.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . 0.458 HD21 ' HA ' ' A' 1642 ' ' PHE . 8.6 p30 -69.55 -16.48 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 58.8 tp -93.89 -18.54 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.629 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.46 -43.99 93.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.04 -49.6 76.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.65 179.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' 1652 ' ' ASP . 90.4 t80 -66.29 -25.08 66.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.701 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -62.85 -27.41 69.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.196 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -116.79 -6.01 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 -179.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' 1656 ' ' ASN . 21.4 t70 -81.19 -9.51 59.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.78 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.434 HD13 ' HE2' ' A' 1531 ' ' LYS . 5.4 tp -107.53 -31.89 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.769 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 44.2 t80 -78.87 -46.7 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.008 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.86 -61.0 1.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.875 -179.484 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.646 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -71.48 -72.06 0.24 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.253 -179.48 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.41 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 75.29 -165.62 54.61 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.353 -179.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . 0.614 ' HB2' ' NZ ' ' A' 1531 ' ' LYS . 42.6 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 75.4 p -137.7 -60.92 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 16.7 p80 -160.45 139.1 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -139.85 136.26 33.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -147.81 108.67 4.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -110.57 118.09 35.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.028 0.442 . . . . 0.0 111.353 -179.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.571 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 29.5 p -70.23 -138.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.189 179.214 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.556 ' HA2' ' O ' ' A' 1622 ' ' ASP . . . -38.06 -32.37 0.12 Allowed Glycine 0 N--CA 1.457 0.055 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.669 179.157 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 66.77 112.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.882 0.373 . . . . 0.0 111.198 179.382 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.441 ' HG3' ' H ' ' A' 1592 ' ' GLU . 21.0 mmt -98.43 153.47 18.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.686 179.817 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . 0.458 ' NE2' ' HG3' ' A' 1628 ' ' GLU . 10.5 pt20 -100.88 -177.22 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -77.04 164.58 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.223 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -88.74 127.48 35.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.685 179.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 65.0 mt 54.87 86.34 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.989 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -117.54 100.49 7.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.61 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 64.8 mt -89.47 91.21 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.245 -179.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 9.1 t -177.63 -24.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 72.2 mt -82.98 108.6 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 53.6 m -61.05 153.94 24.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.26 -10.49 58.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' 1532 ' ' GLN . 44.5 mt-10 -90.69 -36.36 14.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.3 m -58.16 -54.76 43.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.714 HH12 HD23 ' A' 1646 ' ' LEU . 4.4 ptm180 -70.92 -11.64 61.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.831 ' HE2' HD13 ' A' 1653 ' ' ILE . 26.8 tptp -83.39 -30.58 27.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' 1528 ' ' GLU . 29.3 mm-40 -59.92 -17.45 37.52 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.706 HG23 ' HE2' ' A' 1536 ' ' LYS . 67.5 m -85.96 -29.15 23.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.699 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -60.8 -38.09 84.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.251 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.0 t -100.16 8.45 43.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.975 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.764 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 33.6 ttpt -68.09 135.41 91.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.668 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . 0.447 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 68.1 Cg_exo -51.48 -53.07 7.71 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.824 2.349 . . . . 0.0 113.126 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.764 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 12.6 pt-20 -59.19 -16.73 22.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.361 -179.516 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.61 HD12 ' HA2' ' A' 1603 ' ' GLY . 43.4 mm -95.57 142.98 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.031 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -115.0 -65.3 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.473 -179.619 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.514 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 4.7 p90 -99.8 158.54 15.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.761 -179.18 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.593 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.75 84.32 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.154 179.267 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.681 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 27.4 p90 -134.71 170.04 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.63 -179.252 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.649 ' HZ3' ' HB2' ' A' 1544 ' ' LYS . 0.0 OUTLIER -114.88 144.66 43.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.232 179.487 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.874 HG12 ' HA ' ' A' 1563 ' ' LEU . 11.3 m -137.89 -177.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.943 0.401 . . . . 0.0 111.392 -179.501 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.43 ' CB ' HD11 ' A' 1564 ' ' LEU . 19.0 t -143.62 128.11 17.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.707 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.509 ' HA ' ' HB2' ' A' 1561 ' ' ALA . 44.0 mm -57.58 133.28 22.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 68.2 p -116.23 -32.64 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.514 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 72.2 m -154.12 148.31 25.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.353 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.6 mt -116.8 111.74 36.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.81 179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . 0.752 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 61.2 m -92.45 133.12 36.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 11.2 p -145.66 142.31 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -126.02 -74.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -146.38 -66.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 37.2 t -104.15 -52.12 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -72.37 147.09 46.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.417 ' HB ' ' HG3' ' A' 1584 ' ' LYS . 43.6 t -129.31 146.51 34.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.729 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.752 ' HB2' ' HB ' ' A' 1551 ' ' THR . 94.5 mttt -137.92 155.54 48.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 111.293 -179.589 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.601 ' HE2' ' HD3' ' A' 1584 ' ' LYS . 99.0 m-85 -142.8 105.16 4.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.797 179.843 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -89.45 129.11 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.327 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' 1547 ' ' ILE . . . -141.23 156.59 45.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.022 0.439 . . . . 0.0 111.863 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.6 m -97.08 140.77 31.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.825 179.48 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.874 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.2 tt -74.46 126.44 30.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.949 179.236 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.615 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.2 mp -84.33 -45.97 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.755 0.312 . . . . 0.0 110.962 -179.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.9 t70 -168.56 145.69 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.681 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 57.0 mt -105.86 119.71 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.746 -179.758 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -91.78 -19.16 22.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.301 0.572 . . . . 0.0 109.622 179.014 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.593 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 62.4 tttp -149.48 112.25 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.843 179.386 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 95.3 m -45.05 143.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.17 0.51 . . . . 0.0 111.969 -179.146 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.806 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -102.34 137.25 13.26 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.256 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.552 ' HB2' ' HB2' ' A' 1605 ' ' GLU . 12.7 mm-40 -57.6 -20.06 30.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.88 0.371 . . . . 0.0 110.561 179.767 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.447 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -91.22 53.66 2.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.46 179.363 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' 1573 ' ' VAL . 7.2 p 41.53 41.42 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.694 -179.791 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.806 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -62.24 129.58 41.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.936 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.483 ' HB2' ' OG ' ' A' 1578 ' ' SER . 45.4 mt-10 -132.97 143.35 49.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.561 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -54.88 122.68 11.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.661 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.696 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.6 t70 67.97 56.13 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.065 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.483 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 55.0 m -105.16 -177.85 3.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.543 179.362 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -109.66 122.57 47.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.39 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.66 HD11 HG11 ' A' 1545 ' ' VAL . 5.5 pt -137.27 137.64 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 112.027 -179.37 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 39.6 m -112.09 132.13 55.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.342 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.442 ' CZ ' HD13 ' A' 1601 ' ' ILE . 29.5 m-85 -113.42 101.38 9.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.416 -179.585 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.752 HG22 ' HG2' ' A' 1558 ' ' LYS . 41.0 pt -88.79 167.21 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.677 ' HB3' HD12 ' A' 1621 ' ' LEU . 14.4 ptmm? -168.17 -177.01 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.952 0.406 . . . . 0.0 111.068 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 94.3 mttt -126.82 158.91 35.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 13.6 p -65.85 -11.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.024 0.44 . . . . 0.0 110.658 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.6 p -60.44 -26.74 66.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.494 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 52.1 t -64.18 134.54 55.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.755 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 12.1 m -126.2 53.42 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -173.44 -10.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.571 ' HB2' ' SG ' ' A' 1514 ' ' CYS . . . -61.87 137.15 58.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.896 0.379 . . . . 0.0 111.388 -179.869 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . 0.441 ' H ' ' HG3' ' A' 1517 ' ' MET . 41.1 tt0 -158.01 106.52 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.798 179.745 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 97.2 mt -131.4 157.51 43.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.026 -179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.447 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 66.4 t -134.94 126.3 46.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.017 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.428 ' C ' ' HD2' ' A' 1595 ' ' LYS . 4.8 tmmm? -65.21 116.67 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.708 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 119.47 -19.02 9.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.52 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 91.9 mtt180 -90.51 177.11 6.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.028 0.442 . . . . 0.0 111.317 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -118.62 144.45 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.761 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -142.04 141.68 32.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.152 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.858 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 62.6 tp -82.69 145.3 29.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.228 179.322 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.442 HD13 ' CZ ' ' A' 1582 ' ' PHE . 82.2 mt -137.79 122.16 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.066 0.46 . . . . 0.0 111.712 -179.549 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.435 ' O ' ' HB3' ' A' 1626 ' ' TRP . 56.9 mtp -143.49 112.84 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.05 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.61 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -171.08 -178.29 41.49 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 119.785 -1.198 . . . . 0.0 113.914 -179.321 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.703 ' HD3' ' N ' ' A' 1605 ' ' GLU . 13.7 tmtt? -60.22 157.22 13.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.386 -0.407 . . . . 0.0 111.267 -179.609 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.703 ' N ' ' HD3' ' A' 1604 ' ' LYS . 35.4 tt0 -49.1 156.39 0.54 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.297 179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.475 ' N ' ' HG2' ' A' 1605 ' ' GLU . . . -71.9 -169.06 0.43 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.216 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 94.9 mt -88.96 -165.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.235 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.627 HE22 ' HB3' ' A' 1615 ' ' PHE . 0.0 OUTLIER -150.1 100.61 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.323 -179.746 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.472 ' HB ' ' HB3' ' A' 1616 ' ' ARG . 2.7 mm -112.82 -16.22 9.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.336 -179.306 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.834 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 59.3 mttp 59.08 175.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.045 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 76.5 t80 -153.07 -71.42 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -161.12 -63.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -112.02 -4.82 14.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.802 179.751 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 47.1 t -152.88 130.55 11.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.834 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 44.0 m-85 -58.28 145.98 35.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.811 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.472 ' HB3' ' HB ' ' A' 1609 ' ' ILE . 79.2 ttt180 -96.68 105.6 17.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -98.91 118.87 36.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.216 -179.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.598 HD12 HD13 ' A' 1583 ' ' ILE . 31.3 pt -137.08 143.02 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.805 179.625 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' 1606 ' ' ALA . 24.5 m-85 -100.41 124.26 43.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.439 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.52 -8.57 19.56 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.624 2.216 . . . . 0.0 112.453 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.677 HD12 ' HB3' ' A' 1584 ' ' LYS . 95.6 mt 60.01 103.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.345 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.556 ' O ' ' HA2' ' A' 1515 ' ' GLY . 9.8 m-20 -144.19 174.73 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.729 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 79.0 p -60.09 -13.71 13.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.576 HD11 ' H ' ' A' 1604 ' ' LYS . 0.1 OUTLIER -69.02 -47.59 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 179.755 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.45 ' N ' ' HG ' ' A' 1624 ' ' LEU . 78.9 m -74.97 115.25 14.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.624 -179.43 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.435 ' HB3' ' O ' ' A' 1602 ' ' MET . 35.9 t-105 -72.75 119.98 17.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.65 179.557 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.418 HG21 ' SD ' ' A' 1517 ' ' MET . 56.1 mt -118.13 140.73 40.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.858 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.0 tt0 -135.51 153.4 51.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.755 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.52 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 19.4 t80 -92.08 109.61 20.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.005 179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.485 ' CE2' HD13 ' A' 1646 ' ' LEU . 12.1 t-105 -90.88 108.14 25.71 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.227 179.515 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.704 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 54.7 Cg_exo -51.49 99.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.408 2.072 . . . . 0.0 112.439 -179.626 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.484 ' O ' ' HD3' ' A' 1632 ' ' ARG . 4.2 tmt_? -64.13 -23.56 67.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.653 179.833 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 4.4 p30 -90.49 135.57 33.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.747 HG22 ' HG ' ' A' 1643 ' ' LEU . 79.9 p -137.32 -31.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.981 179.844 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 65.3 p 49.96 23.11 1.0 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.574 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.0 t -141.27 -73.01 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 78.8 p -168.27 -56.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.2 p -163.01 6.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.626 ' HA ' ' HB3' ' A' 1643 ' ' LEU . 52.2 t -141.34 129.2 21.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.923 ' H ' ' HB2' ' A' 1643 ' ' LEU . 6.2 tp-100 -151.61 -94.2 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.216 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -93.59 -86.29 0.26 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.782 0.325 . . . . 0.0 110.561 179.848 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.704 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 31.2 t80 -78.73 -7.56 57.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.874 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.923 ' HB2' ' H ' ' A' 1640 ' ' GLN . 2.6 mm? -70.87 -5.09 27.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.115 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -90.43 -37.89 13.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.947 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -78.74 -14.95 59.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.714 HD23 HH12 ' A' 1530 ' ' ARG . 81.9 mt -82.1 -22.59 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.717 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -74.5 -40.35 61.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' 1652 ' ' ASP . 39.9 tt0 -66.18 -22.89 66.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.467 ' O ' HG22 ' A' 1653 ' ' ILE . 73.2 t80 -96.12 -24.13 16.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.66 -77.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.461 -179.756 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -21.29 59.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.366 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.539 ' HA ' HD22 ' A' 1656 ' ' ASN . 16.7 t70 -59.56 -76.37 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.176 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.831 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.4 tp -58.41 -29.88 39.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.016 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 54.5 t80 -67.27 -37.53 83.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.206 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 34.0 tp -105.49 -71.64 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.539 HD22 ' HA ' ' A' 1652 ' ' ASP . 18.8 m-80 -55.5 -68.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.257 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.692 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 68.69 -172.79 35.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 52.9 t . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.986 179.939 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 54.8 m -95.05 -59.23 1.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -84.71 157.35 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 94.9 mmm -93.47 139.77 30.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -116.69 149.28 40.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -85.78 45.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.277 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.521 ' O ' ' HB2' ' A' 1590 ' ' ASN . 40.6 t -51.56 155.76 1.48 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.432 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 48.66 34.73 15.15 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.603 -178.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.436 HE21 ' HB2' ' A' 1623 ' ' SER . 11.4 pt20 -48.22 -36.3 13.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.201 -0.499 . . . . 0.0 111.346 -179.54 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 82.8 mtp 55.05 -169.15 0.08 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . 0.413 ' OE1' ' HG3' ' A' 1628 ' ' GLU . 12.0 pt20 -131.12 167.54 18.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.95 -179.922 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.77 176.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -96.52 142.05 29.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.427 HD22 ' SG ' ' A' 1639 ' ' CYS . 92.8 mt 57.24 22.59 7.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -56.82 105.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.439 HD23 ' HD1' ' A' 1642 ' ' PHE . 69.1 mt -94.78 5.01 53.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 74.1 p -81.73 3.86 24.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 83.0 mt -122.87 123.01 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.003 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . 0.422 ' HB3' ' OG1' ' A' 1529 ' ' THR . 38.2 t -81.99 175.24 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -66.71 -56.98 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.777 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.3 mt-10 -63.93 -19.14 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.837 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . 0.422 ' OG1' ' HB3' ' A' 1526 ' ' SER . 96.3 m -56.71 -42.14 78.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' 1530 ' ' ARG . 27.1 ptt85 -106.78 -16.51 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.777 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 20.4 tptm -66.65 -44.93 80.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.71 179.865 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.1 -16.47 44.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.039 0.447 . . . . 0.0 110.202 179.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.783 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 60.6 m -76.42 -33.84 58.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.56 179.514 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -58.95 -21.57 58.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.776 179.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 86.6 m -83.73 -26.47 29.7 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.04 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.783 ' HE2' ' HA ' ' A' 1533 ' ' THR . 63.1 mttm -55.62 149.72 29.04 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.72 -18.8 32.24 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.493 2.129 . . . . 0.0 112.086 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.23 -22.96 60.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.624 HG13 HG22 ' A' 1533 ' ' THR . 40.9 mm -95.29 102.17 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.72 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.385 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.868 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 2.8 p90 -140.24 162.35 35.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.27 0.557 . . . . 0.0 112.051 -179.48 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . . . . . . . . . . . -147.79 96.53 2.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.653 179.307 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.678 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.7 p90 -144.15 -178.75 6.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.393 0.616 . . . . 0.0 112.445 -178.623 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.802 ' HZ1' ' HB3' ' A' 1598 ' ' GLN . 53.9 tttp -118.68 133.47 55.83 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.235 179.631 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.817 HG12 ' HA ' ' A' 1563 ' ' LEU . 24.7 m -131.31 -177.25 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.995 0.426 . . . . 0.0 111.526 -179.58 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . . . . . . . . . 16.4 t -146.46 126.9 14.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' 1561 ' ' ALA . 47.0 mm -70.85 141.35 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.728 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 62.6 p -121.1 -44.55 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.483 -179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 69.5 m -142.52 166.39 24.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.99 0.424 . . . . 0.0 111.412 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.441 HG12 ' HD1' ' A' 1559 ' ' TYR . 79.1 mt -131.12 120.14 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.78 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . 0.799 ' HB ' ' HB2' ' A' 1558 ' ' LYS . 86.3 m -95.51 121.97 37.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.885 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 96.6 t -112.46 123.18 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -110.21 -75.36 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.958 -179.693 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . 0.473 ' C ' HD22 ' A' 1554 ' ' ASN . 0.2 OUTLIER -168.75 -72.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.67 -179.826 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 21.8 t -96.85 -35.63 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' 1584 ' ' LYS . 86.4 m-85 -106.93 115.72 30.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' 1583 ' ' ILE . 47.1 t -89.29 144.48 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.878 ' HG2' HG22 ' A' 1583 ' ' ILE . 88.4 mttt -127.97 157.07 41.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 111.305 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.447 ' HE2' ' HZ2' ' A' 1584 ' ' LYS . 97.9 m-85 -140.3 123.34 16.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -94.4 110.09 21.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.565 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.523 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -126.93 171.27 11.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.313 -179.79 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.3 m -128.65 139.63 52.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.817 ' HA ' HG12 ' A' 1545 ' ' VAL . 0.1 OUTLIER -68.78 138.34 54.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.195 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.531 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.6 mp -104.24 -42.24 5.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.066 0.46 . . . . 0.0 110.525 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.0 t70 -168.22 142.24 3.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.863 179.243 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.678 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 39.5 mt -116.48 135.32 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -178.751 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -106.01 -21.32 13.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.428 -0.805 . . . . 0.0 108.976 178.318 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . . . . . . . . . 63.6 tttm -142.65 106.9 4.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.26 179.054 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . 0.79 HG22 ' H ' ' A' 1571 ' ' GLU . 7.9 m -42.74 150.62 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.513 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.868 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -94.41 -11.37 57.24 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.759 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.79 ' H ' HG22 ' A' 1569 ' ' THR . 44.1 mt-10 73.16 -34.28 0.29 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 122.349 0.26 . . . . 0.0 111.306 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' 1570 ' ' GLY . . . -94.96 65.08 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.674 179.72 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 97.3 t 51.28 87.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.42 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' 1566 ' ' ILE . . . -137.61 165.07 27.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.834 179.508 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.855 ' HG2' ' HB3' ' A' 1578 ' ' SER . 9.4 pt-20 -171.33 178.25 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.501 179.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' 1577 ' ' ASP . 19.1 ptpt -81.41 36.1 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.505 -179.505 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' A' 1563 ' ' LEU . 5.6 p-10 165.46 37.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.408 -179.425 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.855 ' HB3' ' HG2' ' A' 1575 ' ' GLU . 51.7 p -89.57 -168.03 2.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.087 0.47 . . . . 0.0 111.285 179.85 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -113.61 132.56 55.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.236 179.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.749 HD12 ' HE1' ' A' 1582 ' ' PHE . 32.3 pt -133.84 145.48 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.001 0.429 . . . . 0.0 111.81 -179.409 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 27.1 m -134.12 122.64 23.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.678 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.749 ' HE1' HD12 ' A' 1580 ' ' ILE . 77.0 m-85 -108.05 135.26 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 111.318 -179.772 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.878 HG22 ' HG2' ' A' 1558 ' ' LYS . 48.9 pt -129.68 151.09 35.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.098 179.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.788 ' HD3' HD23 ' A' 1621 ' ' LEU . 23.8 pttm -152.66 -179.92 8.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -100.23 -170.3 1.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 29.6 m -82.15 -18.27 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 73.7 p -90.74 9.63 29.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.549 ' HB3' ' HD2' ' A' 1584 ' ' LYS . 17.8 t -122.39 16.67 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.712 -179.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . 0.428 ' HA ' ' HE3' ' A' 1584 ' ' LYS . 67.9 p -67.75 -4.85 13.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.382 -179.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' 1514 ' ' CYS . 17.0 m120 -58.4 -22.72 54.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -80.4 110.22 15.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -93.68 110.46 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.44 154.96 28.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.76 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 60.2 t -127.91 129.77 69.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -71.34 128.43 35.85 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 98.25 8.75 54.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.744 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.76 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 83.3 mtt180 -112.18 175.18 5.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.368 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.802 ' HB3' ' HZ1' ' A' 1544 ' ' LYS . 21.7 mt-30 -115.56 140.76 48.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.629 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -141.61 154.98 45.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 0.0 111.529 -179.682 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.62 HD13 ' N ' ' A' 1601 ' ' ILE . 2.3 tm? -98.02 135.64 39.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.002 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.62 ' N ' HD13 ' A' 1600 ' ' LEU . 61.6 mt -129.6 133.04 65.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.187 0.517 . . . . 0.0 112.021 -179.385 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . . . . . . . . . 75.1 mtp -148.56 117.85 6.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.258 179.47 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.491 ' HA2' HD13 ' A' 1539 ' ' ILE . . . 167.31 -165.64 38.74 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 119.907 -1.14 . . . . 0.0 113.65 -179.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -49.84 159.1 0.42 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.984 0.421 . . . . 0.0 111.695 -179.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.486 ' HA ' ' CE2' ' A' 1541 ' ' TYR . 12.4 pt-20 -90.34 -169.26 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.411 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -108.18 141.38 40.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.325 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' 1607 ' ' LEU . 0.7 OUTLIER -130.85 104.1 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.336 179.571 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.603 ' HB2' ' HA ' ' A' 1617 ' ' TYR . 10.1 mm100 -151.21 -64.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.151 0.5 . . . . 0.0 110.983 -178.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 41.1 mt 68.35 94.13 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.033 -179.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.614 ' HA ' ' H ' ' A' 1616 ' ' ARG . 22.1 pttm -54.19 105.57 0.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 67.0 t80 -101.3 102.05 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 84.3 m-20 66.9 -77.64 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.015 -179.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -147.36 21.35 1.2 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.225 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 55.1 m -129.09 -176.49 3.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.042 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . . . . . . . . . 95.2 m-85 59.05 -97.15 0.07 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.297 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.614 ' H ' ' HA ' ' A' 1610 ' ' LYS . 96.4 mtt180 68.02 128.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 179.946 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.603 ' HA ' ' HB2' ' A' 1608 ' ' GLN . 5.6 m-85 -57.68 125.2 21.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.306 0.574 . . . . 0.0 112.334 -179.151 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.684 HD12 HD13 ' A' 1583 ' ' ILE . 6.8 pt -148.04 98.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.112 179.302 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.571 ' O ' ' HA ' ' A' 1582 ' ' PHE . 66.4 m-85 -55.24 130.0 68.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.642 -178.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -76.54 143.6 24.52 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.646 2.23 . . . . 0.0 112.117 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.788 HD23 ' HD3' ' A' 1584 ' ' LYS . 36.9 tp -106.65 97.62 7.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.453 ' HA ' ' SG ' ' A' 1514 ' ' CYS . 9.6 m-20 -120.85 -172.21 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.901 -179.863 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.436 ' HB2' HE21 ' A' 1516 ' ' GLN . 79.1 p -80.71 -17.03 52.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.08 -179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -32.43 58.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.599 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.479 ' O ' HG13 ' A' 1627 ' ' ILE . 69.1 m -62.17 99.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.087 -179.835 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -59.9 111.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.753 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.495 ' HA ' ' O ' ' A' 1600 ' ' LEU . 71.8 mt -125.59 125.72 69.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.413 ' HG3' ' OE1' ' A' 1518 ' ' GLN . 42.4 tt0 -123.94 148.4 46.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.453 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 30.3 t80 -83.6 119.34 24.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -96.98 115.41 65.72 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.276 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.751 ' HB2' HD11 ' A' 1643 ' ' LEU . 76.4 Cg_exo -49.48 100.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.517 2.145 . . . . 0.0 112.343 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -63.23 -21.72 66.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -130.54 161.04 32.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 111.457 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.436 ' HB ' ' NE2' ' A' 1640 ' ' GLN . 66.6 p -140.17 -55.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.745 179.712 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 62.4 p 50.32 20.43 0.66 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.755 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.486 ' HA ' HE21 ' A' 1640 ' ' GLN . 18.0 p 41.33 30.73 0.13 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.622 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 48.2 t -142.09 -35.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 54.3 m -73.03 -59.9 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.765 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.427 ' SG ' HD22 ' A' 1521 ' ' LEU . 53.7 t -169.65 141.87 2.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.008 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.494 ' HA ' HD23 ' A' 1643 ' ' LEU . 19.3 mm-40 -141.74 -8.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -73.81 -8.04 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.22 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' 1646 ' ' LEU . 43.7 t80 -106.28 -27.68 10.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.774 179.901 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.9 mm? -78.96 -52.6 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.998 -179.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -63.68 -15.2 57.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 31.8 t30 -95.1 -38.2 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' 1642 ' ' PHE . 11.3 tp -72.83 -25.47 61.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.635 179.874 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.52 -25.91 66.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.395 179.559 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -62.27 -46.36 89.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.584 179.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . . . . . . . . . 41.1 t80 -55.07 -30.62 60.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.809 179.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -70.56 -48.18 56.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.333 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -71.21 -13.58 61.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.401 -179.364 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.0 -68.33 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 111.047 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.56 ' HB ' ' HE3' ' A' 1531 ' ' LYS . 8.2 tp -58.62 -22.09 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.2 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 69.4 t80 -82.02 -56.7 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.317 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 42.8 tp -80.31 -61.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 -179.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.618 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -64.31 -73.1 0.13 Allowed 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.031 -179.856 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 94.03 173.57 39.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.901 -179.96 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.0 p -151.41 -1.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -80.16 -61.97 1.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.778 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.15 174.04 11.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -155.32 114.34 3.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.312 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' 1515 ' ' GLY . 8.0 m-20 -63.66 137.65 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' 1591 ' ' ALA . 15.6 p -78.18 25.55 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.352 0.596 . . . . 0.0 110.351 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.75 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 107.82 79.41 1.18 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.68 -179.242 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -47.0 121.42 3.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.023 0.44 . . . . 0.0 111.261 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' 1591 ' ' ALA . 0.5 OUTLIER -70.64 140.15 51.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.019 -179.947 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.44 167.48 5.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 12.9 mm-40 -63.68 163.77 10.89 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.998 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . 0.432 ' HG2' ' HG ' ' A' 1521 ' ' LEU . 41.3 tt0 -95.22 135.41 36.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' 1523 ' ' LEU . 94.4 mt 58.38 21.8 8.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 23.8 t70 -60.63 101.37 0.14 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.772 179.726 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' 1521 ' ' LEU . 72.9 mt -99.38 95.46 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 7.5 t -175.38 -20.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.06 127.51 39.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.4 t -77.13 160.41 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -69.9 -14.21 62.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' 1532 ' ' GLN . 44.5 mt-10 -90.61 -32.6 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 62.1 m -62.7 -37.33 86.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -88.03 -10.69 49.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.698 ' HE3' HD13 ' A' 1653 ' ' ILE . 21.7 tptm -86.81 -34.58 19.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.881 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.3 mt-30 -62.48 -13.39 29.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.401 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 42.5 m -88.84 -26.66 21.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.855 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -66.74 -58.9 4.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.279 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 37.3 t -69.99 -7.71 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.74 ' HZ2' ' HB3' ' A' 1538 ' ' GLU . 27.0 ttpp -62.94 137.93 97.09 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.706 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . 0.678 ' HD2' ' HG3' ' A' 1536 ' ' LYS . 12.3 Cg_endo -55.68 -31.05 78.2 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.815 2.344 . . . . 0.0 112.946 -179.497 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.74 ' HB3' ' HZ2' ' A' 1536 ' ' LYS . 10.3 tp10 -64.7 -25.13 67.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.736 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.839 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -105.14 129.38 57.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.53 -41.56 7.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.435 -179.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.49 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 1.3 p90 -123.83 159.12 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.21 0.529 . . . . 0.0 112.045 -179.258 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.573 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -153.24 110.08 3.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.789 179.326 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.692 ' HA ' ' HD2' ' A' 1567 ' ' TYR . 1.3 p90 -156.71 -178.65 7.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.198 0.523 . . . . 0.0 112.126 -178.75 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.553 ' HG2' HD12 ' A' 1564 ' ' LEU . 63.3 tttm -114.81 135.15 54.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.171 179.823 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' 1563 ' ' LEU . 20.4 m -129.77 174.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 0.0 111.988 -179.314 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.465 ' HB3' HD11 ' A' 1564 ' ' LEU . 75.1 p -143.68 117.54 9.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.609 -179.853 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' 1561 ' ' ALA . 43.4 mm -55.25 139.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 72.5 p -128.23 -21.66 3.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.478 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.773 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 40.9 t -153.28 158.68 41.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.171 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.2 mt -144.1 116.69 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 89.4 m -110.62 109.45 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.039 179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.719 ' HA ' HG23 ' A' 1557 ' ' VAL . 3.8 p -106.21 123.48 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . 0.556 ' HG3' ' H ' ' A' 1554 ' ' ASN . 8.0 tp10 -110.22 174.61 5.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.426 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . 0.556 ' H ' ' HG3' ' A' 1553 ' ' GLU . 34.8 m-80 -54.31 -23.34 14.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.521 -179.686 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 92.5 t -138.64 -74.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.726 0.298 . . . . 0.0 111.633 -179.773 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -77.18 120.04 21.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.238 -179.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.719 HG23 ' HA ' ' A' 1552 ' ' VAL . 4.4 p -107.6 115.18 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.816 ' HG3' HG22 ' A' 1583 ' ' ILE . 11.4 mptt -89.78 155.67 19.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -135.76 130.48 34.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.011 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.773 ' HB3' ' HB3' ' A' 1549 ' ' SER . 16.3 tppt? -108.17 132.01 54.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.527 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.477 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -138.76 173.46 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 111.635 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.3 m -124.13 127.62 48.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.87 HD21 HG12 ' A' 1566 ' ' ILE . 5.4 tp -69.99 90.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.7 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.6 ' H ' ' HA ' ' A' 1545 ' ' VAL . 87.6 mt -48.8 -45.34 40.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.339 -179.114 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.4 t70 -169.32 153.61 5.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.669 179.774 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.87 HG12 HD21 ' A' 1563 ' ' LEU . 38.2 mt -100.91 130.13 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.253 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.692 ' HD2' ' HA ' ' A' 1543 ' ' TYR . 86.2 m-85 -109.59 -24.29 11.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.306 0.574 . . . . 0.0 109.496 178.504 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.573 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 58.5 tptt -146.69 106.69 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.582 179.28 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' 1574 ' ' ALA . 63.9 m -45.71 134.76 7.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.284 0.564 . . . . 0.0 112.1 -178.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.853 ' H ' ' HB2' ' A' 1574 ' ' ALA . . . -91.41 131.78 10.95 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.213 179.636 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -59.28 -20.57 55.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.343 . . . . 0.0 110.799 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.724 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -89.27 44.32 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.638 179.492 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 69.4 t 59.0 95.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.344 -179.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.853 ' HB2' ' H ' ' A' 1570 ' ' GLY . . . -92.21 144.51 25.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.887 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.478 ' HB3' ' HB2' ' A' 1578 ' ' SER . 10.2 tp10 -147.1 138.03 23.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.849 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -55.86 133.77 51.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.133 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.696 ' HA ' ' O ' ' A' 1563 ' ' LEU . 4.3 p30 45.6 39.2 4.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.227 0.537 . . . . 0.0 110.912 -179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.478 ' HB2' ' HB3' ' A' 1575 ' ' GLU . 32.7 t -64.52 -169.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.67 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -123.02 105.22 9.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.617 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.607 HD12 ' HE1' ' A' 1582 ' ' PHE . 36.8 pt -99.33 150.51 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.532 -179.619 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 10.2 m -134.96 105.16 6.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.633 ' HA ' ' O ' ' A' 1619 ' ' TYR . 52.6 m-85 -100.57 117.33 34.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.982 0.42 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.816 HG22 ' HG3' ' A' 1558 ' ' LYS . 43.0 pt -98.88 149.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.047 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.567 ' HB2' HD12 ' A' 1621 ' ' LEU . 36.5 ttpt -133.18 158.98 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.458 ' N ' ' HG2' ' A' 1584 ' ' LYS . 97.4 mttt -108.54 -169.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 27.3 m -95.77 3.7 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 77.8 p -94.31 -5.98 45.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' 1514 ' ' CYS . 42.1 t -84.2 -72.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.595 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 71.8 p 49.0 24.32 0.86 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.072 179.359 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 14.3 m120 -134.25 -5.61 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 111.1 179.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.49 ' HA ' ' SD ' ' A' 1517 ' ' MET . . . -89.06 127.64 35.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -119.47 104.44 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 92.6 mt -121.22 96.13 4.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.643 179.718 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 43.8 t -74.68 147.7 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.262 -179.641 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 62.9 tttp -65.3 136.14 56.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 179.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.69 33.48 87.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.553 ' HE ' ' HA ' ' A' 1597 ' ' ARG . 2.5 tpm_? -109.8 149.79 29.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.752 0.311 . . . . 0.0 110.749 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.52 ' HB3' ' HZ1' ' A' 1544 ' ' LYS . 21.1 mt-30 -91.09 129.42 37.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -135.94 150.01 49.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.001 0.429 . . . . 0.0 111.639 -179.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' 1601 ' ' ILE . 5.6 tt -98.82 131.4 44.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.832 179.212 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.582 ' N ' HD23 ' A' 1600 ' ' LEU . 90.3 mt -124.88 128.55 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.127 0.489 . . . . 0.0 112.009 -179.263 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.455 ' O ' ' HB3' ' A' 1626 ' ' TRP . 74.3 mtp -148.23 113.5 5.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.32 179.528 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.839 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.69 179.92 48.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.149 -1.024 . . . . 0.0 113.297 -179.746 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' 1538 ' ' GLU . 4.8 tppp? -55.23 158.43 3.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.757 0.313 . . . . 0.0 111.084 -179.802 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.724 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.4 pt-20 -60.91 175.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -72.01 -173.43 1.03 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 87.6 mt -131.81 114.39 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.766 ' HB2' ' HB2' ' A' 1615 ' ' PHE . 4.5 pp0? -83.52 135.96 34.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.815 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' 1609 ' ' ILE . 16.8 tt -179.64 36.36 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.245 -179.796 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.587 ' H ' ' H ' ' A' 1616 ' ' ARG . 87.5 tttt -43.12 -71.41 0.08 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.857 0.361 . . . . 0.0 111.245 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 72.1 t80 -155.88 87.12 1.06 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.284 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . 0.403 HD22 ' N ' ' A' 1613 ' ' ALA . 7.7 t30 50.62 -89.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.546 179.547 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . 0.403 ' N ' HD22 ' A' 1612 ' ' ASN . . . -58.56 -61.65 2.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.304 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . 0.557 ' OG ' ' HD3' ' A' 1610 ' ' LYS . 22.2 t -65.05 -179.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.766 ' HB2' ' HB2' ' A' 1608 ' ' GLN . 8.6 p90 -149.48 134.37 17.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.951 0.405 . . . . 0.0 111.329 -179.75 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.615 ' HG2' HG23 ' A' 1618 ' ' ILE . 79.4 ttt180 -118.52 119.63 35.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.522 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' 1608 ' ' GLN . 1.9 m-30 -87.5 99.0 11.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -179.608 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.615 HG23 ' HG2' ' A' 1616 ' ' ARG . 2.6 pp -120.05 151.72 22.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.651 179.531 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.633 ' O ' ' HA ' ' A' 1582 ' ' PHE . 25.9 m-85 -99.5 118.73 61.69 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.185 -179.534 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -84.67 -178.03 3.13 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.738 2.292 . . . . 0.0 112.436 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' 1584 ' ' LYS . 62.8 mt -135.78 95.13 3.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.77 179.56 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -116.76 179.53 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.797 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.75 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 47.3 t -74.5 -0.32 17.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' 1625 ' ' THR . 0.4 OUTLIER -92.59 -34.09 14.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.521 179.79 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.508 ' N ' ' HG ' ' A' 1624 ' ' LEU . 19.1 m -56.15 124.9 19.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.198 -179.647 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.455 ' HB3' ' O ' ' A' 1602 ' ' MET . 45.1 t-105 -91.06 107.58 19.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' 1600 ' ' LEU . 5.3 mp -115.07 127.12 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.691 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.495 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 42.3 tt0 -132.09 114.53 14.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.448 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 15.5 t80 -57.92 120.86 9.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.786 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.4 ' HA ' ' HD2' ' A' 1631 ' ' PRO . 4.4 t-105 -98.89 102.39 15.04 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.225 179.694 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.427 ' HG2' HD11 ' A' 1643 ' ' LEU . 9.9 Cg_endo -51.95 98.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.714 2.276 . . . . 0.0 112.378 -179.634 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -61.43 -26.4 67.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.29 132.74 34.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 75.3 p -135.13 0.82 2.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 9.5 t -89.63 -2.08 58.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 84.1 m -69.44 -15.95 63.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 92.4 p 50.14 24.01 1.31 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.221 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.1 t -137.97 -35.18 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 74.7 m -102.95 4.85 37.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.839 ' HA ' HD23 ' A' 1643 ' ' LEU . 9.5 tt0 -70.11 -19.34 63.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -59.92 -20.68 58.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.312 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 58.1 t80 -80.05 -30.78 39.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.768 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.839 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.8 mm? -74.31 -14.91 60.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -67.48 -43.99 79.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -73.59 -21.43 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.723 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.598 HD12 HD13 ' A' 1643 ' ' LEU . 97.3 mt -79.85 -27.73 40.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.11 -28.29 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.723 179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.42 2.16 42.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.737 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.433 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 89.2 t80 -113.5 -20.11 11.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.803 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -76.73 -64.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.49 -33.31 74.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.776 ' HA ' HD21 ' A' 1656 ' ' ASN . 20.7 t70 -51.8 -74.66 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.284 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.698 HD13 ' HE3' ' A' 1531 ' ' LYS . 7.2 tp -57.22 -29.49 32.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.312 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . 0.546 ' HD1' ' HG ' ' A' 1655 ' ' LEU . 16.5 t80 -71.66 -29.79 65.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.332 -179.697 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.546 ' HG ' ' HD1' ' A' 1654 ' ' PHE . 89.6 mt -103.94 -75.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.501 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.776 HD21 ' HA ' ' A' 1652 ' ' ASP . 2.0 p30 -76.68 -56.8 4.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.656 -179.351 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.698 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 65.54 -139.4 39.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.406 -179.816 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.259 -0.876 . . . . 0.0 110.851 179.95 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.0 t -138.57 109.32 6.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 41.4 t-80 62.33 7.72 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.017 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 95.4 mmm 56.3 92.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -170.29 130.19 0.91 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -111.07 119.28 38.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' A' 1515 ' ' GLY . 94.6 m -70.25 -140.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.312 179.137 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' 1514 ' ' CYS . . . -40.12 -29.37 0.2 Allowed Glycine 0 N--CA 1.455 -0.076 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.828 179.315 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 68.35 114.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.882 0.373 . . . . 0.0 110.942 179.487 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.497 ' HG2' ' HA ' ' A' 1591 ' ' ALA . 92.5 mmm -83.5 130.41 35.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -75.34 159.92 30.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.24 147.58 47.51 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.08 143.52 39.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' 1523 ' ' LEU . 89.9 mt 58.76 18.76 6.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.192 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.404 ' OD1' HG13 ' A' 1525 ' ' ILE . 14.6 t70 -63.05 100.48 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.747 179.802 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' 1521 ' ' LEU . 64.7 mt -95.53 11.78 31.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.055 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 80.8 p -78.89 -36.47 42.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.404 HG13 ' OD1' ' A' 1522 ' ' ASP . 75.9 mt -74.86 136.36 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 51.8 m -78.8 177.14 8.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . 0.401 ' HB2' ' OD1' ' A' 1645 ' ' ASN . . . -88.41 -11.83 44.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.571 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 43.8 mt-10 -103.56 -23.0 13.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 63.5 m -59.64 -41.83 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.034 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.509 ' NH1' ' HG2' ' A' 1628 ' ' GLU . 13.0 ptp180 -92.59 -14.16 28.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.795 179.851 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.591 ' HE2' HD13 ' A' 1653 ' ' ILE . 26.7 tptp -75.52 -39.31 58.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.053 -179.902 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' 1528 ' ' GLU . 78.8 mt-30 -62.05 -12.6 19.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.969 0.414 . . . . 0.0 110.384 179.57 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.69 HG23 ' HE2' ' A' 1536 ' ' LYS . 61.7 m -92.57 -29.48 16.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.906 179.743 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.17 70.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.288 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.3 t -96.76 -3.22 42.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.707 ' HG2' ' HG2' ' A' 1538 ' ' GLU . 39.3 ttpt -58.42 135.23 85.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.47 -42.47 34.89 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.83 2.353 . . . . 0.0 112.784 -179.703 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.707 ' HG2' ' HG2' ' A' 1536 ' ' LYS . 0.4 OUTLIER -58.33 -55.57 33.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.202 0.525 . . . . 0.0 110.491 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.681 HG13 HG22 ' A' 1533 ' ' THR . 17.3 mm -61.14 107.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.436 -179.693 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -71.85 -63.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.732 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.568 ' HE1' HG22 ' A' 1601 ' ' ILE . 5.1 p90 -109.29 159.08 17.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.652 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.49 ' HB3' ' CB ' ' A' 1568 ' ' LYS . . . -147.66 96.72 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.039 179.512 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.763 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.6 OUTLIER -150.88 173.21 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.97 0.414 . . . . 0.0 111.681 -179.107 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.55 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 21.3 pttp -110.62 147.42 34.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.069 179.171 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.833 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.3 m -138.52 -175.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.609 -178.772 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.466 ' HB2' HD11 ' A' 1564 ' ' LEU . 22.9 t -146.37 120.68 9.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.717 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.407 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.4 mm -61.17 139.76 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 62.3 p -121.07 -38.83 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.39 -179.774 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 75.7 m -142.73 150.76 40.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.63 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 76.9 mt -133.62 136.58 54.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.044 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 69.2 m -140.52 113.79 8.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.609 ' HA ' HG13 ' A' 1557 ' ' VAL . 89.5 t -101.84 129.95 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' 1556 ' ' PHE . 45.5 mt-10 -110.09 -164.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . 0.58 HD22 ' N ' ' A' 1554 ' ' ASN . 0.8 OUTLIER -56.89 -60.45 3.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.903 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.677 HG13 HG22 ' A' 1586 ' ' VAL . 33.9 t -129.07 -36.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.843 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' 1553 ' ' GLU . 94.8 m-85 -90.38 103.73 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.042 -179.774 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' 1552 ' ' VAL . 26.2 t -91.65 150.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.861 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.646 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.3 mttt -131.45 152.45 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.952 -179.781 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.45 ' CE2' ' HE3' ' A' 1584 ' ' LYS . 98.5 m-85 -138.94 120.26 14.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 24.3 tptm -98.26 121.12 39.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.401 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.407 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -139.62 166.5 24.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.984 0.421 . . . . 0.0 111.623 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.6 m -115.29 128.39 56.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.999 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.833 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.2 tp -66.29 112.22 3.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.257 179.445 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.58 ' H ' ' HA ' ' A' 1545 ' ' VAL . 85.5 mt -66.16 -61.19 2.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.281 -179.358 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.564 ' O ' ' HB2' ' A' 1543 ' ' TYR . 17.2 t70 -153.94 149.23 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.812 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.763 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 56.4 mt -97.9 135.27 33.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.038 0.447 . . . . 0.0 112.052 -179.442 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' 1542 ' ' ALA . 52.9 m-85 -112.97 -15.56 12.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.321 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' 1542 ' ' ALA . 7.3 tmtm? -157.51 106.18 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.285 179.13 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 47.2 m -40.02 143.49 0.27 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.382 -178.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.823 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.53 133.75 11.46 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.32 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.67 -24.13 65.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.774 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -94.59 67.39 3.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.434 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' 1573 ' ' VAL . 7.2 p 36.9 79.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.829 -179.667 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.823 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -107.0 129.73 54.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.844 179.559 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.489 ' O ' HD23 ' A' 1563 ' ' LEU . 45.9 mt-10 -140.09 145.2 37.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -57.52 127.93 34.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.65 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.617 ' HA ' ' O ' ' A' 1563 ' ' LEU . 17.0 t70 64.77 38.0 7.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 40.6 t -91.39 -171.53 2.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.54 179.554 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -108.38 133.67 52.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.583 179.681 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.76 HD12 ' HE1' ' A' 1582 ' ' PHE . 28.8 pt -140.33 149.97 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.018 0.437 . . . . 0.0 111.646 -179.569 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 34.8 m -142.54 114.54 8.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.753 179.749 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.76 ' HE1' HD12 ' A' 1580 ' ' ILE . 88.9 m-85 -100.31 133.08 45.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.747 HD13 HD12 ' A' 1618 ' ' ILE . 50.1 pt -123.35 146.74 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.537 ' HD3' HD23 ' A' 1621 ' ' LEU . 21.8 pttp -149.26 -168.16 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.002 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' 1585 ' ' LYS . 0.5 OUTLIER -111.02 178.6 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.937 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.677 HG22 HG13 ' A' 1555 ' ' VAL . 24.2 m -90.78 -0.37 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 67.3 p -72.7 -22.16 60.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.989 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.563 ' HB3' ' HB3' ' A' 1591 ' ' ALA . 75.8 m -58.13 122.11 12.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.74 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 94.3 m -104.16 -39.82 6.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.593 -179.61 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 12.7 m120 -96.13 14.5 23.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.42 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' 1588 ' ' CYS . . . -100.22 136.23 40.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 179.809 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -161.25 130.05 4.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 91.1 mt -135.87 135.83 40.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.437 HG12 ' OH ' ' A' 1599 ' ' TYR . 7.1 p -117.39 138.86 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.499 ' HB2' ' NZ ' ' A' 1595 ' ' LYS . 0.0 OUTLIER -72.97 129.74 38.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 -179.881 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 117.39 -51.05 0.76 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.804 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 168.47 14.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.058 0.456 . . . . 0.0 111.304 -179.733 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.423 ' HG2' HD11 ' A' 1564 ' ' LEU . 99.4 mt-30 -106.01 152.67 23.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.779 179.908 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.437 ' OH ' HG12 ' A' 1594 ' ' VAL . 97.0 m-85 -147.88 145.68 28.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.319 -179.832 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' 1627 ' ' ILE . 57.8 tp -93.95 132.64 38.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.138 179.398 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.568 HG22 ' HE1' ' A' 1541 ' ' TYR . 78.0 mt -127.69 123.28 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.0 0.429 . . . . 0.0 111.926 -179.294 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.417 ' SD ' ' HB1' ' A' 1542 ' ' ALA . 28.1 mtm -140.67 117.62 11.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.053 179.2 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.638 ' N ' HG23 ' A' 1539 ' ' ILE . . . 177.32 -166.39 36.88 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.427 -179.676 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' 1538 ' ' GLU . 73.8 mmtt -51.9 162.14 0.48 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.96 0.41 . . . . 0.0 111.408 -179.799 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.6 pt-20 -81.96 -178.69 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.727 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.498 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -89.88 -179.79 5.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.044 179.73 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' 1607 ' ' LEU . 1.4 pt? -127.97 117.4 21.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.779 179.842 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -83.33 105.2 14.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.828 -179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.705 HG13 ' HB3' ' A' 1615 ' ' PHE . 24.8 pt -110.92 -4.59 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.794 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.855 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 88.0 tttt -50.61 111.64 0.57 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.013 179.888 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 78.3 t80 -136.8 -24.35 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 45.3 t30 -129.43 -73.88 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -167.33 -37.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.171 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 46.8 t -78.07 -2.01 35.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.705 ' HB3' HG13 ' A' 1609 ' ' ILE . 76.9 m-85 -112.45 161.64 16.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.855 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 16.3 ptm180 179.56 -174.39 0.23 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.159 -179.677 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -65.85 -69.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.348 -179.809 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.747 HD12 HD13 ' A' 1583 ' ' ILE . 16.4 pt 37.92 97.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.114 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.498 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 30.9 m-85 -55.97 140.58 69.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.011 -179.679 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.87 175.57 11.14 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.611 2.207 . . . . 0.0 112.197 179.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.537 HD23 ' HD3' ' A' 1584 ' ' LYS . 41.6 tp -154.75 92.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.859 ' HB2' HD12 ' A' 1624 ' ' LEU . 9.6 m-20 -116.8 -160.32 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.777 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 77.6 p -83.68 14.33 3.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.509 -179.572 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -111.5 -13.47 13.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.726 0.298 . . . . 0.0 110.918 179.798 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.616 ' N ' HD13 ' A' 1624 ' ' LEU . 57.4 m -76.53 118.91 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' A' 1601 ' ' ILE . 69.4 t-105 -81.85 110.89 17.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.509 ' HA ' ' O ' ' A' 1600 ' ' LEU . 68.5 mt -123.27 119.45 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.509 ' HG2' ' NH1' ' A' 1530 ' ' ARG . 10.2 tp10 -123.71 139.52 53.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.98 -179.91 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.465 ' O ' ' HD3' ' A' 1631 ' ' PRO . 10.6 t80 -65.3 123.38 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -106.67 95.52 12.3 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.24 179.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 78.3 Cg_exo -50.35 97.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.623 2.216 . . . . 0.0 112.427 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -62.17 -28.92 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.823 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . 0.592 ' HB3' ' HB3' ' A' 1636 ' ' CYS . 10.0 m-20 -87.63 153.6 21.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 72.3 p -132.7 -49.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 7.8 t -92.67 -11.24 34.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' A' 1633 ' ' ASP . 52.7 t -72.02 113.51 9.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 96.6 p 49.98 24.35 1.33 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.285 179.936 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.6 t 58.8 97.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 75.1 m -142.18 9.97 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.817 ' HA ' HD23 ' A' 1643 ' ' LEU . 4.1 pt20 -74.74 -1.55 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -66.09 -21.98 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.013 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.511 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 30.8 t80 -91.4 -37.06 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.789 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.817 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.9 mm? -64.55 -25.88 68.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -64.18 -31.28 72.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . 0.401 ' OD1' ' HB2' ' A' 1527 ' ' ALA . 47.9 t-20 -79.16 -38.78 35.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 88.7 mt -70.43 -22.1 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.57 -47.28 84.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.771 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.4 -33.68 76.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.657 179.767 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.463 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 87.5 t80 -65.38 -36.71 84.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -71.86 -28.44 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.188 -179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -95.37 -4.97 44.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 -179.483 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.705 ' HA ' HD22 ' A' 1656 ' ' ASN . 18.8 t70 -96.86 -14.71 21.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.591 HD13 ' HE2' ' A' 1531 ' ' LYS . 6.4 tp -102.3 -30.91 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.734 179.668 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 43.9 t80 -82.52 -44.45 15.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.857 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.2 tt -90.22 -70.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 -179.74 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.705 HD22 ' HA ' ' A' 1652 ' ' ASP . 17.0 m-80 -61.26 -40.97 96.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.258 -179.815 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 61.55 -140.01 47.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.387 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.88 179.836 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 46.6 t -142.07 -38.9 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . 0.424 ' O ' ' HA ' ' A' 1588 ' ' CYS . 64.3 m80 -78.74 -38.04 39.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.796 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . 0.505 ' O ' ' HB3' ' A' 1512 ' ' ALA . 3.5 ppp? -103.36 -162.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' 1511 ' ' MET . . . 77.66 -65.05 0.28 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.994 179.848 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.488 ' HB3' ' HB2' ' A' 1516 ' ' GLN . 8.6 m-20 -134.5 -68.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.811 179.509 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' 1588 ' ' CYS . 42.5 t 52.59 30.6 8.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.494 0.664 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.451 ' HA2' ' C ' ' A' 1622 ' ' ASP . . . 122.85 44.3 0.34 Allowed Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.631 -179.141 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.488 ' HB2' ' HB3' ' A' 1513 ' ' ASP . 28.2 tt0 -47.4 132.44 13.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.413 -0.393 . . . . 0.0 111.295 -179.605 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.404 ' HB3' ' HE2' ' A' 1517 ' ' MET . 83.0 mtp -98.06 179.39 4.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.737 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -90.49 158.03 17.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -67.78 171.83 6.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.184 -179.8 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -81.26 -152.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.801 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' 1642 ' ' PHE . 86.1 mt -54.89 103.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -147.99 127.94 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' 1641 ' ' ALA . 88.0 mt -85.64 6.78 25.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 82.4 p -65.06 -30.03 70.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.75 133.36 38.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . 0.442 ' HB2' ' OG1' ' A' 1529 ' ' THR . 54.6 m -88.21 -175.55 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -79.43 -62.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.673 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.4 mt-10 -58.26 -27.38 63.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 -179.895 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' 1526 ' ' SER . 89.0 m -58.93 -42.72 90.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -106.78 10.19 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.673 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 25.2 tptp -97.53 -36.04 10.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.763 179.871 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' 1528 ' ' GLU . 96.5 mt-30 -63.31 -10.6 16.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 179.531 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.806 ' HA ' ' HD3' ' A' 1536 ' ' LYS . 58.5 m -82.28 -28.19 31.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.798 179.61 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -63.32 -13.99 44.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.049 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 30.5 t -118.73 0.92 11.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.698 179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.806 ' HD3' ' HA ' ' A' 1533 ' ' THR . 11.3 mtpp -59.41 156.23 32.05 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.077 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.34 -45.33 18.98 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.724 2.282 . . . . 0.0 112.72 -179.731 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.644 ' HG3' HD12 ' A' 1539 ' ' ILE . 6.2 pt-20 -73.8 3.58 6.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.289 -179.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.751 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -116.23 114.09 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.876 0.37 . . . . 0.0 110.751 179.299 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -95.46 -42.14 8.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.245 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.569 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.0 OUTLIER -125.13 164.21 20.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.284 0.564 . . . . 0.0 111.945 -179.424 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -155.06 97.83 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.755 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.604 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 5.5 p90 -139.85 176.54 8.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.04 0.448 . . . . 0.0 111.83 -178.859 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.563 ' HZ1' ' HB3' ' A' 1598 ' ' GLN . 61.6 tttm -119.64 134.05 55.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.433 179.739 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.828 HG12 ' HA ' ' A' 1563 ' ' LEU . 6.1 m -133.36 177.88 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 111.521 -179.516 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.475 ' HB2' HD11 ' A' 1564 ' ' LEU . 9.5 t -140.16 129.79 24.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.633 179.629 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' 1595 ' ' LYS . 36.6 mm -65.11 140.19 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.778 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 53.2 p -131.62 -22.72 2.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.538 -179.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.637 ' HB2' ' HB3' ' A' 1560 ' ' LYS . 70.0 m -155.79 145.95 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.01 0.433 . . . . 0.0 111.235 -179.518 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 75.5 mt -130.65 121.27 50.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 61.6 m -120.31 139.01 53.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 6.9 p -113.52 136.69 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.186 -179.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -112.59 -165.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.704 179.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 17.7 m120 -57.01 -42.04 79.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' 1556 ' ' PHE . 5.2 m -144.27 -50.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.448 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.567 ' HE1' ' HE2' ' A' 1585 ' ' LYS . 83.9 m-85 -78.82 105.28 10.03 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 111.187 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' 1584 ' ' LYS . 7.7 p -81.64 136.28 23.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.689 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.62 ' HE2' HD12 ' A' 1583 ' ' ILE . 35.1 mmtp -108.77 154.1 22.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.092 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.855 ' HB2' ' HB2' ' A' 1582 ' ' PHE . 91.9 m-85 -136.05 102.02 4.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.717 179.712 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' A' 1549 ' ' SER . 4.5 tppp? -77.47 123.64 26.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.657 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -143.39 162.06 36.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.42 . . . . 0.0 111.562 -179.715 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.5 m -107.16 138.71 42.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.12 179.744 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.828 ' HA ' HG12 ' A' 1545 ' ' VAL . 19.7 tp -79.82 109.9 14.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.603 179.644 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.565 HD13 ' HA ' ' A' 1545 ' ' VAL . 9.6 mp -63.62 -47.97 79.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.158 -179.675 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' 1543 ' ' TYR . 19.3 t70 -169.45 161.06 9.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.604 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 55.7 mt -107.81 124.59 64.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.831 -179.801 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.495 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 96.6 m-85 -99.06 -15.96 18.84 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.515 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.61 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 24.0 tptm -154.63 110.66 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.818 179.324 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 89.0 m -43.67 146.93 0.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.889 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.789 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -105.03 135.25 12.45 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.447 -179.924 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.556 ' HB2' ' HB3' ' A' 1605 ' ' GLU . 14.2 mm-40 -59.53 -27.15 65.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.745 179.825 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -95.03 67.97 3.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.557 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' 1573 ' ' VAL . 5.7 p 36.88 85.0 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.076 -179.79 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.789 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.46 133.3 51.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.647 179.393 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' 1578 ' ' SER . 10.1 tp10 -145.18 135.2 23.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.644 -179.9 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 96.3 mttt -50.4 136.29 20.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.591 ' HA ' ' O ' ' A' 1563 ' ' LEU . 16.1 t70 64.91 40.22 5.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.957 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.551 ' H ' ' HB3' ' A' 1563 ' ' LEU . 30.1 t -87.2 -167.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.466 179.524 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -122.52 113.07 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 179.751 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.629 HD13 HG11 ' A' 1545 ' ' VAL . 28.7 pt -110.49 145.84 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.667 -179.552 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 17.8 m -129.97 98.1 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.45 179.374 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.882 ' HB3' HD21 ' A' 1621 ' ' LEU . 25.0 m-85 -65.19 153.69 40.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.077 -179.67 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.68 HG21 HD12 ' A' 1618 ' ' ILE . 6.1 tt -144.08 106.84 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.812 179.766 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.575 ' HG2' ' N ' ' A' 1585 ' ' LYS . 33.7 ttpt -125.53 161.76 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.828 -179.478 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.575 ' N ' ' HG2' ' A' 1584 ' ' LYS . 0.4 OUTLIER -91.19 136.98 32.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 179.478 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 31.4 m -77.8 9.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 -179.791 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 8.4 t -117.01 9.16 13.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.29 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' 1514 ' ' CYS . 62.6 m -66.29 -38.76 88.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.995 0.426 . . . . 0.0 111.181 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 6.8 m 56.81 51.97 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.328 179.802 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.458 ' OD1' ' HA ' ' A' 1516 ' ' GLN . 25.3 t-20 -164.83 -71.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.094 179.6 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -61.42 136.55 58.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.007 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -157.74 103.82 1.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' 1593 ' ' LEU . 3.8 mp -100.09 170.65 8.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.671 179.707 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 7.6 p -136.55 141.18 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.41 ' HA ' ' CG2' ' A' 1547 ' ' ILE . 26.6 ttpp -70.44 145.05 51.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 -179.807 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' 1632 ' ' ARG . . . 100.02 -31.91 7.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.677 179.871 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.46 168.91 16.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.906 0.384 . . . . 0.0 111.332 -179.833 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.563 ' HB3' ' HZ1' ' A' 1544 ' ' LYS . 20.8 mt-30 -114.08 144.64 42.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.589 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.407 ' CD1' ' HA ' ' A' 1629 ' ' TYR . 94.3 m-85 -138.67 158.98 43.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.027 0.442 . . . . 0.0 111.498 -179.583 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.451 ' C ' HD12 ' A' 1601 ' ' ILE . 59.2 tp -105.89 134.88 48.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.31 179.513 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' 1601 ' ' ILE . 3.3 mp -118.33 131.51 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 111.771 -179.261 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.76 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 75.3 mtp -146.03 107.81 4.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.209 179.5 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.751 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -177.67 -175.0 44.52 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 119.907 -1.139 . . . . 0.0 113.518 -179.575 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' 1605 ' ' GLU . 4.7 tppp? -54.4 161.32 1.43 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.789 0.328 . . . . 0.0 111.26 -179.679 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.556 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.1 pt-20 -58.45 176.55 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.363 -179.796 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.468 ' HB2' ' CE2' ' A' 1619 ' ' TYR . . . -76.97 177.01 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.344 -179.785 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.61 HD23 ' HD3' ' A' 1620 ' ' PRO . 4.3 mm? -88.71 -158.55 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.832 179.822 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.657 ' HA ' ' HD1' ' A' 1617 ' ' TYR . 8.9 tt0 -161.16 86.16 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.808 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.52 HD12 ' HE ' ' A' 1616 ' ' ARG . 1.5 mt -61.57 -55.45 24.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.325 -179.149 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 1.012 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 22.2 pttp 38.56 45.99 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.255 179.41 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 72.2 t80 -107.27 159.77 16.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.051 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 50.2 t-20 62.88 -87.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.028 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -169.8 11.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.119 -179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 55.3 m -89.64 -47.16 8.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 1.012 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 34.9 m-85 59.5 109.53 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.843 -179.752 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.52 ' HE ' HD12 ' A' 1609 ' ' ILE . 38.8 ptt180 -161.95 171.77 17.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.668 -179.598 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.657 ' HD1' ' HA ' ' A' 1608 ' ' GLN . 7.5 m-85 -118.54 158.33 25.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.732 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.68 HD12 HG21 ' A' 1583 ' ' ILE . 36.1 pt -142.0 174.07 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.423 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' 1582 ' ' PHE . 45.1 m-85 -129.12 113.6 18.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.121 -179.535 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . 0.61 ' HD3' HD23 ' A' 1607 ' ' LEU . 84.4 Cg_endo -80.45 168.24 18.38 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.789 2.326 . . . . 0.0 112.375 -179.828 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.882 HD21 ' HB3' ' A' 1582 ' ' PHE . 2.8 mm? -120.03 97.21 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.451 ' C ' ' HA2' ' A' 1515 ' ' GLY . 10.6 m-20 -125.26 176.44 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 43.2 t -64.69 -25.87 68.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' 1625 ' ' THR . 4.5 pp -72.72 -32.71 65.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.633 179.781 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.539 ' N ' HD12 ' A' 1624 ' ' LEU . 54.5 m -78.62 104.04 8.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.76 ' HB3' ' HB2' ' A' 1602 ' ' MET . 45.0 t-105 -61.68 119.84 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.862 179.902 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.527 HD11 HD12 ' A' 1621 ' ' LEU . 60.7 mt -127.65 108.92 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.786 179.849 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -114.89 147.68 39.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.109 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.407 ' HA ' ' CD1' ' A' 1599 ' ' TYR . 12.3 t80 -90.35 110.09 21.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.728 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.0 t90 -98.13 107.12 39.36 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.259 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.46 ' HB2' HD21 ' A' 1643 ' ' LEU . 71.6 Cg_exo -48.49 106.48 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.593 2.195 . . . . 0.0 112.499 -179.784 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.54 ' HA ' ' NE2' ' A' 1598 ' ' GLN . 78.5 ttt180 -52.56 -33.86 47.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.023 179.831 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . 0.469 ' HB2' ' OG ' ' A' 1638 ' ' SER . 10.2 m-20 -98.25 168.49 10.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.843 HG22 HD13 ' A' 1643 ' ' LEU . 64.1 p -132.01 -16.04 2.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 73.1 p -137.3 7.51 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.336 -179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 52.6 t -110.13 84.78 1.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.103 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 93.0 p 47.49 26.91 0.86 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.427 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . 0.469 ' OG ' ' HB2' ' A' 1633 ' ' ASP . 55.6 m -114.23 -31.7 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.947 -179.835 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 42.1 t 64.36 156.63 0.08 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.51 ' HG2' HD12 ' A' 1643 ' ' LEU . 49.8 mt-30 -111.9 18.86 18.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 -179.893 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . 0.418 ' O ' HD21 ' A' 1523 ' ' LEU . . . -61.18 -22.79 65.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.61 ' HB3' HD22 ' A' 1521 ' ' LEU . 77.4 t80 -117.59 -14.17 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.639 179.888 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.843 HD13 HG22 ' A' 1634 ' ' THR . 62.8 mt -81.72 5.23 19.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -106.64 -56.67 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -64.29 -22.02 66.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.661 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.404 HD22 ' CE2' ' A' 1642 ' ' PHE . 57.5 tp -85.52 -23.58 27.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.728 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.06 -38.11 78.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.594 179.881 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -62.28 -32.9 73.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.64 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.662 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 75.9 t80 -61.89 -35.09 77.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.31 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.203 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -78.54 -5.4 52.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.162 -179.441 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.826 ' HA ' HD21 ' A' 1656 ' ' ASN . 17.2 t70 -96.69 -9.85 28.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.721 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.877 ' HA ' ' HA2' ' A' 1657 ' ' GLY . 8.3 tp -118.18 -21.14 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.128 0.489 . . . . 0.0 110.464 179.724 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -87.38 -30.21 20.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.005 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' 1655 ' ' LEU . 2.6 tm? -99.24 -72.95 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 -179.078 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.826 HD21 ' HA ' ' A' 1652 ' ' ASP . 1.7 p30 -82.97 -39.41 21.4 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.705 -179.198 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.877 ' HA2' ' HA ' ' A' 1653 ' ' ILE . . . 62.3 -132.89 45.34 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.409 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.901 179.893 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.2 p -130.34 -4.27 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -146.09 117.52 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.4 ptt? -72.98 -179.95 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -140.29 171.95 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -71.39 93.4 1.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.705 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 18.2 t -86.24 126.88 34.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.65 179.717 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 86.7 -50.63 4.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.098 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.672 ' H ' HD21 ' A' 1590 ' ' ASN . 36.0 tt0 55.19 100.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.349 . . . . 0.0 111.37 179.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.473 ' HE3' ' N ' ' A' 1592 ' ' GLU . 26.4 mmt -90.6 150.39 21.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -93.0 165.3 12.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.648 ' HB2' ' HB2' ' A' 1522 ' ' ASP . 46.2 mt-10 -64.76 153.82 38.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.04 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.9 133.46 35.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' 1523 ' ' LEU . 86.6 mt 57.82 22.46 8.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.648 ' HB2' ' HB2' ' A' 1519 ' ' GLU . 21.9 t70 -60.39 103.81 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.762 179.858 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' 1521 ' ' LEU . 74.7 mt -102.74 97.47 7.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 -179.895 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.5 t -174.54 -19.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.999 179.892 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 63.5 mt -76.89 137.76 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 49.0 m -76.09 177.92 6.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -89.52 -3.78 58.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' 1532 ' ' GLN . 15.4 mm-40 -104.07 -23.43 13.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.039 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 61.9 m -67.23 -37.04 82.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -98.51 8.47 44.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.573 ' HE2' HD13 ' A' 1653 ' ' ILE . 26.3 tptp -106.35 -42.1 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.998 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.2 mt-30 -61.6 -18.8 60.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.969 0.414 . . . . 0.0 110.508 179.676 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.732 ' HA ' ' HE3' ' A' 1536 ' ' LYS . 41.6 m -79.2 -25.08 42.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.809 179.754 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -65.82 -54.35 28.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 179.853 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . 0.481 ' HA ' ' HE3' ' A' 1568 ' ' LYS . 34.2 t -84.67 9.58 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.688 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.732 ' HE3' ' HA ' ' A' 1533 ' ' THR . 3.5 tppp? -57.44 135.34 81.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.83 -22.35 23.39 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.511 2.141 . . . . 0.0 112.112 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.779 ' HG3' ' HE2' ' A' 1604 ' ' LYS . 33.7 tt0 -86.86 -58.54 2.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.818 179.794 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.889 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.8 mp -59.43 121.61 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.093 -179.79 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.568 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -83.59 -60.71 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.474 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.513 ' HE1' HG22 ' A' 1601 ' ' ILE . 3.6 p90 -107.13 155.63 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.09 0.472 . . . . 0.0 111.671 -179.412 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.08 100.52 3.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.382 179.8 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.788 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.8 p90 -155.05 170.38 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.028 0.442 . . . . 0.0 111.683 -179.444 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 65.8 pttt -106.92 141.35 38.27 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.164 179.407 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' 1563 ' ' LEU . 19.5 m -136.91 -173.82 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.638 -179.363 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.593 ' HB2' ' HG3' ' A' 1598 ' ' GLN . 23.3 t -152.2 128.27 10.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.77 179.763 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.449 ' HB ' ' HA ' ' A' 1595 ' ' LYS . 43.1 mm -61.95 137.54 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.72 179.906 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . 0.467 ' O ' ' HE2' ' A' 1595 ' ' LYS . 70.4 p -133.49 -13.03 2.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.68 -179.591 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.685 ' HB3' ' HB3' ' A' 1560 ' ' LYS . 41.3 t -154.64 154.44 32.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 111.497 -179.911 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.459 HG12 ' HD1' ' A' 1559 ' ' TYR . 78.4 mt -141.16 140.06 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 83.3 m -147.6 116.58 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.7 p -96.15 140.84 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -109.68 -168.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.746 179.834 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . 0.498 ' ND2' HG23 ' A' 1555 ' ' VAL . 16.7 p-10 -59.49 -59.36 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.604 HG12 ' HB ' ' A' 1586 ' ' VAL . 25.3 t -113.4 -49.95 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.078 -179.672 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -84.14 176.6 8.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.043 -179.893 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.85 ' HB ' ' HB3' ' A' 1584 ' ' LYS . 13.1 t -135.34 161.53 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.552 179.892 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.916 ' HG2' HG22 ' A' 1583 ' ' ILE . 96.7 mttt -142.61 143.54 32.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.459 ' HD1' HG12 ' A' 1550 ' ' ILE . 94.1 m-85 -133.19 131.71 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.685 ' HB3' ' HB3' ' A' 1549 ' ' SER . 4.9 tmtp? -109.58 100.97 9.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.353 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.412 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -113.13 168.05 10.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.527 -179.541 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.8 m -113.57 138.2 50.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.91 179.527 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.894 ' HA ' HG12 ' A' 1545 ' ' VAL . 2.4 tt -73.49 137.79 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.85 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.607 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.1 mp -94.72 -47.72 6.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.8 t70 -165.54 137.52 4.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.788 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 69.0 mt -97.2 125.37 50.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.972 0.415 . . . . 0.0 111.866 -179.595 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.491 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 83.3 m-85 -98.98 -12.81 20.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.404 178.629 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.572 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 64.8 tttm -160.39 112.48 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.95 179.393 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 14.3 t -46.51 156.68 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.111 0.481 . . . . 0.0 111.774 -179.371 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.577 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -101.76 140.91 15.08 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.161 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.568 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 38.5 mt-10 -51.88 -30.51 24.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 0.0 110.221 179.669 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -92.9 47.73 1.3 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.815 178.77 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' 1573 ' ' VAL . 7.6 p 41.22 84.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.796 -179.349 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.577 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -84.73 135.12 34.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.629 179.671 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.707 ' HB3' ' HB2' ' A' 1578 ' ' SER . 41.1 tt0 -114.97 139.41 49.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.8 -179.835 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.495 ' NZ ' ' HB3' ' A' 1576 ' ' LYS . 5.9 ttpm? -61.25 125.39 23.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.31 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.718 ' HA ' ' O ' ' A' 1563 ' ' LEU . 19.3 t70 65.83 28.63 10.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.075 0.464 . . . . 0.0 110.807 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.707 ' HB2' ' HB3' ' A' 1575 ' ' GLU . 30.5 t -71.36 -178.46 2.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.621 179.385 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -103.86 104.66 14.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.689 179.655 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.706 HD13 HG11 ' A' 1545 ' ' VAL . 32.2 pt -94.87 146.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.341 -179.673 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' 1559 ' ' TYR . 39.8 m -137.1 105.48 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.808 179.662 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.665 ' HE1' HD12 ' A' 1580 ' ' ILE . 62.2 m-85 -101.64 121.91 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.97 -179.783 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.916 HG22 ' HG2' ' A' 1558 ' ' LYS . 43.4 pt -97.57 128.59 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.989 179.799 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.85 ' HB3' ' HB ' ' A' 1557 ' ' VAL . 40.8 ttmt -92.46 152.17 19.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.921 -179.797 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.481 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 97.4 mttt -92.85 178.98 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.635 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.604 ' HB ' HG12 ' A' 1555 ' ' VAL . 9.0 p -89.04 4.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.065 0.46 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.8 p -109.75 -36.32 5.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.409 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.705 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.1 m -58.97 101.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.029 -179.815 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 6.9 t -105.42 -29.63 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.07 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.672 HD21 ' H ' ' A' 1516 ' ' GLN . 2.4 p-10 -83.63 -24.02 31.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.844 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -83.56 103.87 13.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . 0.473 ' N ' ' HE3' ' A' 1517 ' ' MET . 21.5 mm-40 -121.61 151.08 40.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.967 -179.859 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' 1559 ' ' TYR . 95.9 mt -130.06 114.73 16.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 179.81 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 59.7 t -96.03 139.18 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 -179.896 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.467 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.6 tttm -80.15 139.84 36.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.817 179.887 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 111.94 -68.72 0.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.53 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.464 ' HD2' ' OH ' ' A' 1599 ' ' TYR . 14.7 ptp180 -66.42 178.69 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.726 HE22 ' HA ' ' A' 1632 ' ' ARG . 1.0 OUTLIER -110.07 165.52 11.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 111.3 -179.615 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.464 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 71.9 m-85 -149.63 134.04 17.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.955 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.685 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 60.4 tp -79.29 132.17 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.276 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.513 HG22 ' HE1' ' A' 1541 ' ' TYR . 44.5 mm -123.33 119.01 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.986 0.422 . . . . 0.0 111.689 -179.467 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.485 ' HE2' ' HB ' ' A' 1533 ' ' THR . 77.8 mtp -141.23 113.22 7.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.255 179.495 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.889 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 177.57 -170.29 42.67 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.006 -1.092 . . . . 0.0 113.425 -179.636 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.779 ' HE2' ' HG3' ' A' 1538 ' ' GLU . 65.6 mmtt -50.54 157.96 0.68 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.861 0.362 . . . . 0.0 111.258 -179.915 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' 1605 ' ' GLU . 0.0 OUTLIER -71.9 -179.88 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.782 179.899 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -90.44 155.79 18.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.84 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' 1617 ' ' TYR . 8.6 mp -60.37 174.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.837 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.728 ' HG3' ' HE1' ' A' 1617 ' ' TYR . 59.5 tt0 -141.87 20.45 2.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.701 -179.758 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.574 ' C ' ' HA ' ' A' 1615 ' ' PHE . 2.3 pp -134.98 -7.21 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 112.01 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.606 ' HB2' ' N ' ' A' 1616 ' ' ARG . 24.0 tptm 55.65 -84.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.024 0.44 . . . . 0.0 111.144 -179.833 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' 1609 ' ' ILE . 82.0 t80 -147.47 -85.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 18.7 m120 -154.02 135.39 14.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 58.25 16.46 3.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.352 179.777 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 64.3 p -128.01 -64.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.574 ' HA ' ' C ' ' A' 1609 ' ' ILE . 78.5 m-85 63.35 120.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.222 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.606 ' N ' ' HB2' ' A' 1610 ' ' LYS . 3.7 tmt_? -172.15 153.03 2.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -179.66 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.728 ' HE1' ' HG3' ' A' 1608 ' ' GLN . 11.3 m-30 -71.29 116.6 11.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.307 -179.722 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 47.2 mm -125.27 131.12 72.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -92.65 108.22 29.98 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.0 171.92 16.96 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.555 2.17 . . . . 0.0 112.458 -179.891 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' 1582 ' ' PHE . 99.0 mt -143.92 110.14 5.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' 1624 ' ' LEU . 5.5 p-10 -141.43 -160.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.053 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.3 p -82.51 42.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.614 -179.504 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' 1625 ' ' THR . 0.0 OUTLIER -143.47 -17.68 0.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 179.636 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.491 ' N ' HD23 ' A' 1624 ' ' LEU . 40.0 m -73.05 118.86 16.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.267 -179.777 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.401 ' HB3' ' HB2' ' A' 1602 ' ' MET . 54.6 t-105 -84.55 100.6 11.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.627 179.84 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' 1600 ' ' LEU . 63.0 mt -112.64 128.28 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.685 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 40.8 tt0 -128.17 155.96 43.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 -179.857 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 22.6 t80 -90.75 114.69 27.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.821 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.687 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 5.2 t-105 -94.71 111.21 53.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.371 179.625 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.585 ' HB3' ' SG ' ' A' 1639 ' ' CYS . 79.4 Cg_exo -47.56 104.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.47 2.113 . . . . 0.0 112.548 -179.807 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.726 ' HA ' HE22 ' A' 1598 ' ' GLN . 79.7 ttt180 -59.35 -27.43 65.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.792 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -108.11 146.47 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.521 HG22 ' HG ' ' A' 1643 ' ' LEU . 71.1 p -134.75 -6.0 2.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 73.5 p -77.86 -7.75 57.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' 1639 ' ' CYS . 51.1 t -76.43 145.79 39.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 52.4 m -90.83 13.01 17.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.5 t -133.84 -25.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.585 ' SG ' ' HB3' ' A' 1631 ' ' PRO . 51.2 t -92.86 -22.27 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.548 ' HA ' HD23 ' A' 1643 ' ' LEU . 4.8 tp-100 -62.91 -27.71 69.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -54.45 -33.18 59.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.533 -179.495 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 36.6 t80 -68.52 -40.97 80.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.828 0.347 . . . . 0.0 110.817 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.9 mm? -67.7 -17.95 64.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -74.03 -49.74 22.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.86 -14.17 61.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.651 179.848 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 59.5 tp -96.29 -22.29 17.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.67 -33.76 73.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.22 -40.0 88.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.691 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.524 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 84.1 t80 -64.55 -30.38 71.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -66.67 -58.51 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.349 -179.868 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -70.64 -8.69 53.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.272 -179.451 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.572 ' HA ' HD22 ' A' 1656 ' ' ASN . 17.2 t70 -77.22 -71.64 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.722 HD12 ' HA2' ' A' 1657 ' ' GLY . 7.0 tp -57.7 -29.96 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.413 . . . . 0.0 110.998 179.869 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 68.2 t80 -68.06 -49.68 59.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.98 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.67 -71.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.648 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.572 HD22 ' HA ' ' A' 1652 ' ' ASP . 20.4 m-80 -56.82 -72.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.226 -179.871 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.722 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.3 -176.36 47.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 -179.865 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 53.0 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.893 -179.969 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 47.2 t -86.56 147.92 25.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -84.41 158.28 21.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 86.1 mtp 60.1 99.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -111.81 131.91 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.043 179.926 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -94.0 127.87 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.037 -179.902 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' 1591 ' ' ALA . 12.0 p -88.89 21.44 3.08 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.468 0.651 . . . . 0.0 110.144 179.595 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.829 ' HA2' ' HA ' ' A' 1623 ' ' SER . . . 132.44 78.2 0.14 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.246 -179.719 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -54.37 103.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.86 0.362 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.526 ' HE3' ' H ' ' A' 1592 ' ' GLU . 21.6 ptp -69.13 168.04 14.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -88.47 -178.32 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.98 -178.7 1.04 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.74 -88.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 67.1 mt -98.16 100.73 12.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.173 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -145.83 110.26 5.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 48.3 mt -78.6 6.11 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.639 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 74.4 p -67.16 -21.59 65.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 66.5 mt -98.46 135.8 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . 0.414 ' HB3' ' OG1' ' A' 1529 ' ' THR . 47.4 t -91.4 165.1 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -68.16 -24.33 64.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.2 mt-10 -93.59 -26.77 16.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' 1526 ' ' SER . 79.1 m -61.7 -41.88 98.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.45 ' NH1' ' HG2' ' A' 1628 ' ' GLU . 16.0 ptp180 -85.79 -11.06 54.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.553 ' O ' ' HD3' ' A' 1531 ' ' LYS . 1.3 tmtp? -83.81 -26.84 29.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.48 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' 1528 ' ' GLU . 85.0 mm-40 -53.53 -22.61 8.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 179.628 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.921 ' HA ' ' HD3' ' A' 1536 ' ' LYS . 62.4 m -82.53 -34.93 27.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.741 179.61 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.461 ' HA ' HG21 ' A' 1539 ' ' ILE . . . -63.06 -10.56 14.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.37 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' 1658 ' ' CYS . 44.2 t -120.38 65.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.056 0.455 . . . . 0.0 110.739 179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.921 ' HD3' ' HA ' ' A' 1533 ' ' THR . 14.9 mtpp -143.37 155.68 60.96 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.01 -34.53 80.36 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.627 ' HG3' HD12 ' A' 1539 ' ' ILE . 4.4 pt-20 -77.3 -6.07 51.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.88 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.1 mp -110.27 115.74 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.645 179.331 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' 1605 ' ' GLU . . . -92.96 -54.95 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.696 -179.783 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.506 ' HB3' ' CA ' ' A' 1570 ' ' GLY . 3.9 p90 -116.46 167.91 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.234 0.54 . . . . 0.0 112.171 -178.915 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.691 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -159.0 107.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.798 179.095 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.57 ' HA ' ' HD1' ' A' 1567 ' ' TYR . 1.2 p90 -157.83 178.32 10.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.133 0.492 . . . . 0.0 111.774 -178.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' 1564 ' ' LEU . 26.8 ttpp -109.61 132.06 54.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.315 179.732 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.855 HG12 ' HA ' ' A' 1563 ' ' LEU . 29.9 m -131.53 178.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.491 -179.674 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.505 ' HB3' HD21 ' A' 1564 ' ' LEU . 22.9 t -147.95 124.88 11.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.716 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.687 HD13 ' HB2' ' A' 1561 ' ' ALA . 42.8 mm -61.53 145.81 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 -179.896 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 6.9 t -150.1 -10.37 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.256 -179.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.716 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 54.4 m -145.61 137.07 25.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.036 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.508 HG12 ' HD1' ' A' 1559 ' ' TYR . 74.3 mt -135.57 128.87 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 90.1 m -114.78 110.38 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 90.2 t -110.43 122.52 65.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.666 179.604 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -108.81 -68.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.984 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -165.63 -58.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 27.7 t -109.96 -50.98 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -87.29 120.03 28.15 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.004 -179.901 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 44.4 t -109.28 147.93 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.841 ' HG2' HG22 ' A' 1583 ' ' ILE . 94.3 mttt -131.65 152.97 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.014 -179.744 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.508 ' HD1' HG12 ' A' 1550 ' ' ILE . 97.2 m-85 -137.4 98.71 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.716 ' HB2' ' HB2' ' A' 1549 ' ' SER . 61.1 mttp -85.95 126.15 33.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.335 179.558 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.687 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -132.42 177.93 7.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 111.718 -179.442 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 1.2 m -117.64 145.71 44.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.733 179.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.855 ' HA ' HG12 ' A' 1545 ' ' VAL . 15.8 tp -77.71 119.61 21.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.971 0.415 . . . . 0.0 110.289 179.181 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.649 HD23 ' HA ' ' A' 1545 ' ' VAL . 0.7 OUTLIER -78.32 -38.39 42.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.773 -179.681 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.539 ' O ' ' HB2' ' A' 1543 ' ' TYR . 16.4 t70 -172.71 146.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.592 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.783 HG12 HD21 ' A' 1563 ' ' LEU . 52.8 mt -90.49 130.52 39.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.745 -179.767 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.57 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 64.6 m-85 -111.52 -19.8 12.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.128 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.691 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 63.4 tttm -160.3 107.05 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.568 179.116 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 41.7 m -40.81 141.12 0.62 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.055 -179.167 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.775 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -104.22 135.26 12.36 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.397 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.05 -19.25 51.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.47 179.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.441 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -85.03 54.1 2.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.434 179.336 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' 1573 ' ' VAL . 9.3 p 42.89 39.4 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.594 -179.804 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.775 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -63.37 136.69 57.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.77 179.664 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.59 ' C ' HD11 ' A' 1566 ' ' ILE . 12.8 pt-20 -145.99 154.38 41.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.767 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.592 ' N ' HD11 ' A' 1566 ' ' ILE . 55.8 mtpt -47.01 131.23 12.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.308 -179.508 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.668 ' HA ' ' O ' ' A' 1563 ' ' LEU . 5.5 p-10 42.5 63.36 1.44 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.484 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.631 ' H ' ' HB3' ' A' 1563 ' ' LEU . 51.9 p -98.98 -167.35 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.744 179.662 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -111.54 133.1 54.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.517 179.607 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.792 HD12 ' HE2' ' A' 1582 ' ' PHE . 16.5 pt -134.2 149.7 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.455 -179.464 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 27.6 m -136.62 102.08 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.838 179.703 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.792 ' HE2' HD12 ' A' 1580 ' ' ILE . 78.5 m-85 -93.7 114.99 27.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.167 -179.881 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.841 HG22 ' HG2' ' A' 1558 ' ' LYS . 42.7 pt -100.84 144.85 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.632 ' HE3' ' HB3' ' A' 1588 ' ' CYS . 0.1 OUTLIER -149.91 162.44 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.171 -179.798 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -86.38 156.1 20.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.7 p -61.71 -27.61 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 74.9 p -63.93 -23.75 67.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.632 ' HB3' ' HE3' ' A' 1584 ' ' LYS . 34.3 t -63.4 91.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 8.8 t -104.75 -0.76 27.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -97.03 -24.5 15.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.034 -179.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.618 ' HB3' ' SG ' ' A' 1588 ' ' CYS . . . -118.93 106.15 12.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.227 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . 0.526 ' H ' ' HE3' ' A' 1517 ' ' MET . 41.2 tt0 -125.18 142.47 51.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.73 179.911 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.61 HD13 HD11 ' A' 1547 ' ' ILE . 80.4 mt -116.31 158.1 23.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.832 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.468 ' HB ' ' HB2' ' A' 1597 ' ' ARG . 47.0 t -119.88 139.56 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.035 -179.871 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 62.8 tttp -63.82 107.1 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.611 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 90.93 43.53 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.181 -179.726 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.512 ' HB3' ' CE2' ' A' 1599 ' ' TYR . 10.6 tpt180 -127.56 145.53 50.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.608 0.242 . . . . 0.0 110.741 -179.789 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -91.55 129.88 37.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' 1597 ' ' ARG . 73.4 m-85 -137.39 159.25 42.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.259 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.519 HD23 ' N ' ' A' 1601 ' ' ILE . 3.0 tt -102.61 129.59 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.884 179.396 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.519 ' N ' HD23 ' A' 1600 ' ' LEU . 93.8 mt -134.73 126.95 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.093 0.473 . . . . 0.0 112.087 -179.212 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.59 ' HG3' ' HB3' ' A' 1626 ' ' TRP . 0.2 OUTLIER -153.65 115.42 4.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.425 178.898 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.88 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 173.99 -157.25 25.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.333 -179.699 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . . . . . . . . . 23.0 tptm -44.6 154.07 0.14 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.017 0.437 . . . . 0.0 111.956 -179.302 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 13.7 pt-20 -92.53 -167.78 1.83 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.403 ' HB2' ' HA ' ' A' 1619 ' ' TYR . . . -119.59 124.56 46.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.032 179.811 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' 1607 ' ' LEU . 3.4 mm? -108.46 108.63 19.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 179.879 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.771 ' HG3' ' H ' ' A' 1618 ' ' ILE . 17.8 mm-40 -147.39 -85.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.099 0.476 . . . . 0.0 110.634 -179.723 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 45.0 mt 63.77 109.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.694 179.472 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.711 ' HA ' ' HB2' ' A' 1615 ' ' PHE . 62.8 tttp -51.75 126.05 16.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.928 179.803 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -150.22 95.72 2.31 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.769 -179.816 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 11.6 m120 56.56 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.349 178.768 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -39.96 -83.98 0.01 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.08 -179.081 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 78.0 p -179.23 101.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.932 0.396 . . . . 0.0 111.274 -179.621 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.711 ' HB2' ' HA ' ' A' 1610 ' ' LYS . 97.3 m-85 -145.97 -165.39 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.421 179.485 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.533 ' HB2' ' O ' ' A' 1615 ' ' PHE . 78.1 ttt180 170.26 -90.62 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.358 -179.303 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.606 ' HD1' ' HB2' ' A' 1608 ' ' GLN . 0.1 OUTLIER 173.55 98.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.091 179.395 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.771 ' H ' ' HG3' ' A' 1608 ' ' GLN . 38.8 pt -120.49 128.31 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.494 179.349 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.6 ' O ' ' HA ' ' A' 1582 ' ' PHE . 6.1 m-85 -82.42 127.29 71.45 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.166 -179.188 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -77.36 170.61 19.13 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.586 2.191 . . . . 0.0 112.243 179.8 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' 1584 ' ' LYS . 29.5 tp -139.68 94.94 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.728 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -122.93 -172.9 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.829 ' HA ' ' HA2' ' A' 1515 ' ' GLY . 47.3 t -83.27 7.24 16.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' 1625 ' ' THR . 4.6 pp -92.78 -30.81 15.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 179.828 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.606 ' N ' HD12 ' A' 1624 ' ' LEU . 52.9 m -79.65 134.06 36.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.343 -179.645 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.59 ' HB3' ' HG3' ' A' 1602 ' ' MET . 59.5 t-105 -77.69 127.62 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.519 HD11 HD11 ' A' 1621 ' ' LEU . 60.8 mt -132.71 114.55 22.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.831 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.45 ' HG2' ' NH1' ' A' 1530 ' ' ARG . 9.9 tp10 -130.48 118.13 20.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.502 ' HA ' ' HD1' ' A' 1599 ' ' TYR . 29.2 t80 -56.68 132.59 52.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.08 179.897 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -100.39 104.24 28.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.216 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.707 ' HB2' HD11 ' A' 1643 ' ' LEU . 74.6 Cg_exo -49.35 102.31 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.633 2.222 . . . . 0.0 112.581 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -77.59 -26.1 50.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -90.98 132.1 36.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . . . . . . . . . 75.0 p -133.08 -20.78 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 78.1 p -95.56 11.48 32.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 49.6 t -59.08 -55.74 31.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 78.4 p -147.9 -63.17 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.9 p -167.18 7.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 81.5 m -70.94 95.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.692 ' HA ' HD23 ' A' 1643 ' ' LEU . 47.8 mt-30 -141.66 0.01 1.41 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.73 69.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.229 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.484 ' O ' ' HG ' ' A' 1646 ' ' LEU . 56.2 t80 -70.95 -36.71 72.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' 1631 ' ' PRO . 2.8 mm? -66.41 -42.01 88.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.83 92.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.007 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.1 -30.18 71.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.571 179.729 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' 1642 ' ' PHE . 92.0 mt -70.55 -29.71 66.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.696 179.768 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.53 -32.45 73.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.553 179.663 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.93 -31.69 71.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.595 179.666 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.494 ' O ' HG22 ' A' 1653 ' ' ILE . 77.0 t80 -74.25 -33.75 63.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.707 179.824 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.58 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.425 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -99.65 -4.67 30.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 -179.508 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' 1656 ' ' ASN . 19.8 t70 -95.59 -13.98 23.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.494 HG22 ' O ' ' A' 1649 ' ' PHE . 9.5 tp -111.41 -25.65 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.817 179.865 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 48.3 t80 -85.91 -50.11 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.452 ' O ' HD23 ' A' 1655 ' ' LEU . 4.9 tt -73.67 -48.31 33.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.527 -179.578 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.642 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -78.37 -71.37 0.43 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.145 -179.626 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 66.58 86.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.398 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' 1535 ' ' CYS . 42.9 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 48.2 t -139.6 118.14 12.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.779 0.324 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 15.6 p80 -101.94 -5.59 24.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 -179.916 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 27.6 ttt -157.9 118.98 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -136.42 -2.63 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.46 ' HA ' ' CG ' ' A' 1590 ' ' ASN . 8.3 m-20 59.99 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.371 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.581 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 37.0 t 48.84 78.75 0.08 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.063 0.459 . . . . 0.0 110.236 -179.34 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 102.28 43.62 2.0 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.607 -179.089 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.422 ' HG2' ' HB3' ' A' 1513 ' ' ASP . 95.8 mt-30 -45.5 109.34 0.17 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.414 -0.393 . . . . 0.0 111.115 -179.64 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' 1590 ' ' ASN . 19.0 ptp -100.42 -176.8 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -103.78 173.58 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -83.74 42.63 0.86 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 58.54 -90.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.066 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 32.9 mt -105.38 96.66 6.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -142.97 122.26 13.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 179.673 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' 1525 ' ' ILE . 84.9 mt -77.61 -133.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.471 179.839 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 43.5 p 52.25 20.62 1.4 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.739 0.305 . . . . 0.0 111.482 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' 1523 ' ' LEU . 78.6 mt -131.28 107.21 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 179.85 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 79.9 p -73.11 174.44 7.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -79.33 -5.59 54.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' 1532 ' ' GLN . 45.1 mt-10 -100.14 -2.42 34.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 58.1 m -85.9 -31.28 22.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' 1530 ' ' ARG . 46.1 mtm180 -99.3 -32.17 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . . . . . . . . . 60.7 tttm -57.13 -40.37 76.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.16 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' 1536 ' ' LYS . 29.4 mm-40 -58.76 -23.15 59.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.052 0.453 . . . . 0.0 110.055 179.387 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.547 ' HB ' ' HE2' ' A' 1602 ' ' MET . 56.4 m -87.62 -22.84 24.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.455 179.508 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.551 ' HA ' ' HB2' ' A' 1542 ' ' ALA . . . -76.54 0.8 18.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.052 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 10.7 t -150.04 9.52 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.605 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.797 ' HB3' HG12 ' A' 1539 ' ' ILE . 36.9 ttmt -66.66 138.99 95.71 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.693 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.31 -49.49 14.19 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.627 2.218 . . . . 0.0 112.719 -179.814 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.87 -29.69 70.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.114 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.931 HD12 ' HA2' ' A' 1603 ' ' GLY . 28.7 mm -82.26 139.03 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 111.081 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.401 ' HB3' ' N ' ' A' 1605 ' ' GLU . . . -107.84 -18.26 13.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.467 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.671 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 1.7 p90 -158.34 160.06 36.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.478 0.656 . . . . 0.0 112.457 -179.214 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.669 ' N ' ' HB3' ' A' 1568 ' ' LYS . . . -149.27 89.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.557 179.262 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.628 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.2 OUTLIER -131.19 169.57 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.215 0.531 . . . . 0.0 112.378 -178.303 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 86.7 tttt -104.12 109.8 21.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.155 179.512 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.811 HG21 HD12 ' A' 1601 ' ' ILE . 1.9 t -94.08 176.73 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.002 -179.243 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.719 ' H ' HG12 ' A' 1545 ' ' VAL . 88.1 p -155.74 103.98 2.3 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.551 179.572 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.796 HD13 ' HB2' ' A' 1561 ' ' ALA . 50.4 mm -50.48 137.45 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.817 0.341 . . . . 0.0 111.262 -179.719 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' 1561 ' ' ALA . 4.5 t -141.61 -14.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.446 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.775 ' HB3' ' HB2' ' A' 1560 ' ' LYS . 36.9 t -147.81 149.35 32.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 0.0 111.276 179.879 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 77.2 mt -146.22 141.3 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.9 m -147.58 98.47 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.46 ' HA ' HG23 ' A' 1557 ' ' VAL . 7.0 p -96.97 140.8 16.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.3 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -113.15 -169.2 1.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -62.78 -23.46 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.843 HG13 ' H ' ' A' 1556 ' ' PHE . 1.3 p -138.64 -79.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.843 ' H ' HG13 ' A' 1555 ' ' VAL . 95.8 m-85 -64.17 142.99 58.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.908 179.742 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' 1552 ' ' VAL . 10.3 p -126.1 141.98 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.678 ' HG3' HG22 ' A' 1583 ' ' ILE . 11.1 mptt -114.54 150.37 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 -179.724 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.556 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 89.8 m-85 -140.07 101.43 4.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 179.714 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.775 ' HB2' ' HB3' ' A' 1549 ' ' SER . 95.8 mttt -90.76 139.62 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.507 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.796 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -143.93 175.12 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.035 0.445 . . . . 0.0 111.53 -179.625 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 15.8 m -118.6 134.67 54.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.798 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.691 HD13 HD11 ' A' 1566 ' ' ILE . 44.5 mt -76.0 96.11 3.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' 1546 ' ' SER . 70.6 mt -57.39 -31.27 65.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.894 0.378 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.626 ' O ' ' HB2' ' A' 1543 ' ' TYR . 22.0 t70 -170.33 168.2 8.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.428 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.691 HD11 HD13 ' A' 1563 ' ' LEU . 47.5 mt -139.67 120.22 14.41 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.63 179.795 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -96.92 -32.58 11.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.167 0.508 . . . . 0.0 109.927 179.057 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.669 ' HB3' ' N ' ' A' 1542 ' ' ALA . 56.8 tptt -124.5 106.99 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.757 179.031 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 57.9 m -47.19 139.56 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.903 -179.079 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.863 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -91.3 127.88 9.08 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.437 179.901 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.62 -25.59 64.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.638 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.493 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -91.6 42.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.594 179.439 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 72.3 t 59.3 93.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.4 -179.803 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.863 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -126.46 125.3 41.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.363 179.435 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -131.28 159.46 37.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.321 -179.409 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 87.1 tttt -58.29 121.02 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.561 179.772 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.551 ' HA ' ' O ' ' A' 1563 ' ' LEU . 21.1 t70 61.07 67.6 0.79 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.593 ' H ' ' HB2' ' A' 1563 ' ' LEU . 67.8 m -114.45 179.47 3.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.599 179.769 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -107.76 105.07 14.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 179.77 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' 1561 ' ' ALA . 2.5 pp -109.63 154.91 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.519 -179.815 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 30.5 m -130.67 120.09 23.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' 1619 ' ' TYR . 66.0 m-85 -113.8 109.63 18.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.718 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.678 HG22 ' HG3' ' A' 1558 ' ' LYS . 46.7 pt -102.19 164.12 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.222 -179.893 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.635 ' HB3' HD12 ' A' 1621 ' ' LEU . 52.6 pttt -166.12 -172.35 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.756 179.791 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . . . . . . . . . 67.0 mttm -106.33 -175.86 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 11.1 p -91.48 -17.22 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.0 p -69.25 -24.97 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.253 -179.835 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.581 ' HA ' ' HB3' ' A' 1514 ' ' CYS . 3.6 m -59.81 105.1 0.34 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 88.8 m -94.03 -30.53 14.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.323 -179.648 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.46 ' CG ' ' HA ' ' A' 1513 ' ' ASP . 2.8 m-20 -86.36 11.14 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.267 -179.651 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -123.99 136.62 54.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 111.251 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -170.4 114.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.623 HD13 HD11 ' A' 1547 ' ' ILE . 70.9 mt -110.09 158.02 18.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 -179.851 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' 1597 ' ' ARG . 11.0 p -144.75 144.73 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 61.5 tttp -74.82 146.85 41.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 91.56 -10.43 74.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.556 179.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.408 ' HB2' HG13 ' A' 1594 ' ' VAL . 10.8 mpt_? -105.7 169.85 8.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 111.271 -179.857 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -107.89 149.08 28.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.434 ' CD2' HG12 ' A' 1547 ' ' ILE . 72.1 m-85 -143.62 148.7 36.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.087 0.47 . . . . 0.0 111.81 -179.436 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' 1543 ' ' TYR . 58.2 tp -113.32 118.07 33.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.96 179.063 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.811 HD12 HG21 ' A' 1545 ' ' VAL . 82.4 mt -115.34 126.77 73.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.157 0.503 . . . . 0.0 112.092 -179.051 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.549 ' HG2' ' HA ' ' A' 1542 ' ' ALA . 74.1 mtp -140.86 109.34 5.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.993 179.489 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.931 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -176.65 -168.28 36.46 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 119.946 -1.121 . . . . 0.0 113.742 -179.383 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.414 ' HE3' ' HG2' ' A' 1605 ' ' GLU . 60.2 tptt -55.5 157.09 4.09 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.868 0.366 . . . . 0.0 111.355 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 12.6 pt-20 -66.54 -170.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.323 -179.8 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.493 ' H ' ' HB2' ' A' 1572 ' ' ALA . . . -88.41 175.24 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.271 -179.852 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 9.5 mp -110.29 113.62 26.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.606 179.571 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.55 ' HG2' ' CE2' ' A' 1617 ' ' TYR . 40.4 mt-30 -70.6 135.58 48.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.005 -179.626 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.648 HG13 ' HB3' ' A' 1615 ' ' PHE . 4.9 pt -145.53 -15.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.34 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.894 ' HB2' ' HA ' ' A' 1616 ' ' ARG . 62.8 tttp -48.58 115.29 1.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.038 179.923 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 61.9 t80 -128.98 -60.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -119.33 44.93 2.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 63.12 9.22 3.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.3 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 48.0 t -98.34 -12.18 21.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.615 179.868 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.648 ' HB3' HG13 ' A' 1609 ' ' ILE . 85.3 m-85 -130.18 -172.76 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.49 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.894 ' HA ' ' HB2' ' A' 1610 ' ' LYS . 58.2 ttt180 173.5 171.51 0.16 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.182 -179.079 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.66 ' H ' ' HG2' ' A' 1616 ' ' ARG . 14.1 m-85 -62.1 108.63 1.1 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.621 179.441 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . . . . . . . . . 48.3 pt -128.91 135.48 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 0.0 110.974 179.556 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.531 ' O ' ' HA ' ' A' 1582 ' ' PHE . 36.4 m-85 -88.5 131.16 42.91 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.297 -179.308 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.73 -169.99 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.687 2.258 . . . . 0.0 112.207 179.654 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' 1584 ' ' LYS . 81.6 mt -144.91 100.08 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.739 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.82 ' HB2' HD23 ' A' 1624 ' ' LEU . 10.1 m-20 -122.6 -172.02 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 20.1 m -79.76 -5.35 55.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.649 -179.421 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.82 HD23 ' HB2' ' A' 1622 ' ' ASP . 0.3 OUTLIER -88.55 -32.64 18.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.555 ' N ' ' HG ' ' A' 1624 ' ' LEU . 89.9 m -64.58 108.69 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.174 -179.775 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.44 ' HB3' ' HB2' ' A' 1602 ' ' MET . 57.1 t-105 -62.56 112.17 2.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.77 179.884 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -114.26 111.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -128.93 112.86 14.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 78.0 t80 -59.62 133.3 55.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -101.53 108.21 54.54 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.389 179.772 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.56 ' HB2' HD11 ' A' 1643 ' ' LEU . 78.0 Cg_exo -50.41 120.18 6.0 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.666 2.244 . . . . 0.0 112.557 -179.723 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -78.66 -33.82 46.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -86.81 128.72 35.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.713 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.5 p -138.05 -32.61 0.73 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.042 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 75.1 p -88.25 12.14 14.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 53.5 t -60.63 -70.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 56.3 m -155.45 -67.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 80.2 p -149.41 17.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 82.6 m -75.01 1.79 12.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.866 ' HA ' HD23 ' A' 1643 ' ' LEU . 11.3 pt20 -84.0 14.62 3.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.077 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.76 94.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 85.1 t80 -80.41 -25.6 38.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.866 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.7 mm? -77.1 -5.89 50.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.56 -24.73 31.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -89.44 -15.62 32.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . . . . . . . . . 85.4 mt -82.69 -28.47 30.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.13 -36.4 79.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.36 -43.44 94.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.766 179.823 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.545 ' O ' HG22 ' A' 1653 ' ' ILE . 86.7 t80 -68.44 -30.57 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.968 179.89 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -55.92 -27.37 51.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.306 -179.853 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -116.55 -4.27 11.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.232 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' 1656 ' ' ASN . 18.8 t70 -87.91 -16.18 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.035 -179.848 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.548 HD12 ' HA2' ' A' 1657 ' ' GLY . 8.6 tp -110.05 -29.2 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.777 179.794 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 44.3 t80 -78.05 -47.01 19.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.9 tt -79.5 -52.75 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.787 -179.424 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.656 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -78.92 -77.78 0.16 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.277 -179.46 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.548 ' HA2' HD12 ' A' 1653 ' ' ILE . . . 74.3 150.62 2.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.419 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.354 -0.832 . . . . 0.0 111.034 -179.916 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 79.8 p -95.31 162.47 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.309 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 65.5 m80 -127.74 178.34 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' 1511 ' ' MET . 0.0 OUTLIER -145.87 176.76 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.937 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -150.71 -178.13 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.497 ' HB3' ' HB3' ' A' 1516 ' ' GLN . 9.5 m-20 -65.78 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 41.5 t 58.45 101.19 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 63.18 43.67 98.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.275 -179.669 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.497 ' HB3' ' HB3' ' A' 1513 ' ' ASP . 16.9 pt20 -54.93 116.26 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.941 0.4 . . . . 0.0 110.974 -179.87 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 66.1 mtt -93.78 142.21 27.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -87.43 -178.57 6.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.66 172.44 2.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -93.5 -15.95 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 69.0 mt -148.37 102.06 3.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.556 ' OD1' HG13 ' A' 1525 ' ' ILE . 11.8 t70 -138.79 113.14 8.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.555 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 35.3 mt -103.02 17.46 24.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 76.4 p -97.36 -4.95 37.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.31 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.556 HG13 ' OD1' ' A' 1522 ' ' ASP . 89.8 mt -94.71 137.39 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 47.0 t -82.96 163.19 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -93.52 -4.24 51.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -106.79 -13.27 15.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 73.2 m -80.78 -50.79 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.039 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.75 HH22 HD23 ' A' 1646 ' ' LEU . 34.9 ptt180 -76.02 -22.61 55.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.905 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.501 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 84.5 tttt -60.18 -34.29 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -60.56 -23.97 65.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.272 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.822 ' HA ' ' HG2' ' A' 1536 ' ' LYS . 31.9 m -79.99 -21.03 44.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -80.7 4.32 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.47 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.5 t -144.67 18.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.218 -179.639 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.822 ' HG2' ' HA ' ' A' 1533 ' ' THR . 35.0 mmtp -61.78 156.97 52.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.782 179.747 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.08 -10.5 25.84 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.424 2.083 . . . . 0.0 111.951 179.511 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.855 ' HG3' HD12 ' A' 1539 ' ' ILE . 6.6 pt-20 -108.57 -51.8 2.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.101 179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.855 HD12 ' HG3' ' A' 1538 ' ' GLU . 1.9 mp -52.02 119.07 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.99 0.424 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.778 ' HB1' ' H ' ' A' 1571 ' ' GLU . . . -90.9 -58.34 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' 1568 ' ' LYS . 5.5 p90 -101.09 144.09 30.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.519 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -153.51 104.55 2.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.779 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER -179.67 -122.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.411 178.387 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.634 ' HD3' HE21 ' A' 1598 ' ' GLN . 4.4 ttmp? -131.99 140.7 49.04 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.395 0.616 . . . . 0.0 112.046 -177.686 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.798 HG12 ' HA ' ' A' 1563 ' ' LEU . 4.5 m -141.09 140.05 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.081 179.355 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.681 ' HB2' HD11 ' A' 1564 ' ' LEU . 31.0 t -112.57 143.84 43.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.96 0.409 . . . . 0.0 111.592 -179.014 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.719 HG13 HD12 ' A' 1593 ' ' LEU . 32.3 mm -82.06 120.68 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.549 179.572 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 76.6 p -97.24 -18.57 19.14 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.713 ' HA ' ' HE3' ' A' 1595 ' ' LYS . 33.4 t -161.89 167.68 24.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.819 -179.575 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.512 HG12 ' HD1' ' A' 1559 ' ' TYR . 85.3 mt -136.08 112.88 13.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.689 179.795 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 62.1 m -112.27 141.43 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.215 -179.706 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.4 p -141.36 137.55 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -106.3 -71.66 0.74 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . 0.444 ' OD1' HG23 ' A' 1555 ' ' VAL . 6.2 p30 -157.47 -45.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.444 HG23 ' OD1' ' A' 1554 ' ' ASN . 99.1 t -126.41 -56.42 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -80.72 108.76 14.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 179.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -82.1 156.0 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.922 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.791 ' HG2' HG22 ' A' 1583 ' ' ILE . 96.1 mttt -144.65 104.88 4.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.584 ' HE2' ' HE2' ' A' 1584 ' ' LYS . 91.2 m-85 -95.67 121.04 36.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.062 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.713 ' HB3' ' HB3' ' A' 1549 ' ' SER . 17.3 tppt? -76.56 121.11 22.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.125 179.412 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' 1547 ' ' ILE . . . -121.57 -177.3 3.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.03 0.443 . . . . 0.0 111.775 -179.413 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . 0.582 HG23 ' O ' ' A' 1578 ' ' SER . 21.1 m -150.36 116.51 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.641 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.798 ' HA ' HG12 ' A' 1545 ' ' VAL . 64.3 tp -64.81 92.09 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.754 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' 1546 ' ' SER . 85.7 mt -56.24 -55.15 36.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.026 0.441 . . . . 0.0 110.854 -179.037 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.779 ' O ' ' HB3' ' A' 1543 ' ' TYR . 9.6 m-20 -144.14 163.51 33.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.708 179.623 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.775 HG23 HD11 ' A' 1563 ' ' LEU . 0.3 OUTLIER -141.79 106.91 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -179.327 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.637 ' H ' ' HB2' ' A' 1543 ' ' TYR . 57.0 m-85 -63.05 -33.44 75.44 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 177.358 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' A' 1541 ' ' TYR . 62.6 tttp -133.92 112.43 11.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.101 -1.409 . . . . 0.0 108.778 178.588 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . 0.405 HG23 ' O ' ' A' 1574 ' ' ALA . 91.6 m -51.07 145.34 7.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.117 -178.913 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.496 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -82.28 129.87 9.33 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.047 179.433 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.778 ' H ' ' HB1' ' A' 1540 ' ' ALA . 39.0 mt-10 -67.02 -12.87 61.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 111.169 -179.711 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' 1605 ' ' GLU . . . -112.55 71.4 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 179.678 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 99.3 t 49.78 89.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.544 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.496 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -150.16 127.51 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.916 179.527 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -140.62 164.46 30.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.807 -179.928 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.546 ' HB2' ' NZ ' ' A' 1576 ' ' LYS . 4.4 ttmp? -60.02 109.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.635 179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . . . . . . . . . 19.9 t70 68.15 71.11 0.32 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.663 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.582 ' O ' HG23 ' A' 1562 ' ' THR . 39.2 p -126.83 -167.46 1.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.8 131.02 52.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.72 HD12 ' HE1' ' A' 1582 ' ' PHE . 15.3 pt -143.31 165.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.048 -179.796 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 28.9 m -137.28 129.4 29.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.543 -179.77 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.72 ' HE1' HD12 ' A' 1580 ' ' ILE . 49.5 m-85 -115.42 103.33 10.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.61 179.493 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.791 HG22 ' HG2' ' A' 1558 ' ' LYS . 47.7 pt -88.59 146.43 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.302 -179.718 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.584 ' HE2' ' HE2' ' A' 1559 ' ' TYR . 39.4 ttpt -130.79 149.64 52.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.822 179.93 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.463 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 96.0 mttt -87.06 171.02 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.683 179.729 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 7.7 p -77.4 -25.83 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 -179.855 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 68.7 p -67.48 -33.94 76.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.336 -179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 0.0 OUTLIER -65.99 94.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.879 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 8.1 t -100.65 -12.86 18.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -85.53 -13.79 47.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.426 ' HB3' ' HD2' ' A' 1584 ' ' LYS . . . -84.28 108.44 17.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.177 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -134.97 120.57 19.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.805 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.719 HD12 HG13 ' A' 1547 ' ' ILE . 2.1 pt? -135.96 178.77 6.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.973 -179.843 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.414 ' HB ' ' HD3' ' A' 1597 ' ' ARG . 46.7 t -129.87 146.43 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.713 ' HE3' ' HA ' ' A' 1549 ' ' SER . 87.2 tttt -74.69 115.4 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 119.05 -33.59 4.67 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.692 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.414 ' HD3' ' HB ' ' A' 1594 ' ' VAL . 10.7 mpt_? -67.4 164.95 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.013 0.435 . . . . 0.0 111.267 -179.871 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.634 HE21 ' HD3' ' A' 1544 ' ' LYS . 28.2 mt-30 -110.55 136.48 49.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.627 179.911 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.81 136.61 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.354 -179.677 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' 1601 ' ' ILE . 10.4 tp -75.68 123.05 24.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.88 179.159 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.728 HD13 HG22 ' A' 1545 ' ' VAL . 1.7 mp -118.45 137.47 52.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.156 0.503 . . . . 0.0 111.904 -179.055 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.759 ' HB2' ' HB3' ' A' 1626 ' ' TRP . 67.4 mtp -149.21 100.95 3.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.17 179.626 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.598 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -156.75 174.76 34.43 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.323 -179.448 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.717 ' HD2' HD11 ' A' 1624 ' ' LEU . 0.0 OUTLIER -66.93 174.3 3.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.893 0.378 . . . . 0.0 111.188 -179.892 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.688 ' HB2' ' HB2' ' A' 1572 ' ' ALA . 0.0 OUTLIER -70.2 165.52 21.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.166 -179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' 1619 ' ' TYR . . . -67.57 -173.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.355 -179.871 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . . . . . . . . . 90.8 mt -106.95 -174.94 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.919 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -139.91 88.62 2.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.213 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 11.2 tp -90.41 -10.16 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.401 -179.342 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.95 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 87.5 tttt 66.26 131.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.181 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 81.4 t80 -135.51 -29.27 1.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 6.9 t30 -144.35 -63.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.807 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -162.35 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.9 p -96.37 12.08 32.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.95 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 91.4 m-85 63.65 162.58 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.422 ' HD2' HG23 ' A' 1618 ' ' ILE . 0.2 OUTLIER -100.31 102.1 13.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.5 179.868 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.621 ' HE1' ' HB2' ' A' 1615 ' ' PHE . 2.6 m-30 -86.67 112.56 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.221 -179.657 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.758 HD12 HD13 ' A' 1583 ' ' ILE . 20.5 pt -141.47 131.39 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 179.423 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' 1582 ' ' PHE . 3.1 m-30 -77.54 118.62 73.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.783 -179.5 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.43 -174.55 2.31 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.621 2.214 . . . . 0.0 112.565 -179.804 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' 1584 ' ' LYS . 87.4 mt -142.53 102.52 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.796 179.776 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -127.46 -176.02 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 78.1 p -71.2 -11.17 60.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.717 HD11 ' HD2' ' A' 1604 ' ' LYS . 0.7 OUTLIER -87.24 -30.67 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.575 179.903 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.491 ' O ' HG13 ' A' 1627 ' ' ILE . 61.8 m -63.99 99.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.081 -179.83 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.759 ' HB3' ' HB2' ' A' 1602 ' ' MET . 59.2 t-105 -60.11 109.52 0.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.723 179.773 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' 1625 ' ' THR . 71.8 mt -119.21 133.12 67.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.424 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 39.4 tt0 -144.91 155.88 43.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.514 179.926 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 34.8 t80 -97.72 117.45 32.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.504 ' CE2' HD13 ' A' 1646 ' ' LEU . 7.2 t-105 -91.41 115.11 63.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.339 179.661 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -50.91 100.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.446 2.097 . . . . 0.0 112.364 -179.866 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -56.64 -27.83 59.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 179.923 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' 1636 ' ' CYS . 10.8 m-20 -94.33 133.77 37.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.819 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.48 ' HA ' HD11 ' A' 1643 ' ' LEU . 72.3 p -122.21 4.52 9.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.002 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 10.0 t -146.67 13.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' 1633 ' ' ASP . 52.6 t -57.63 -67.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.069 -179.911 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 46.8 t -155.34 -68.07 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 80.3 p -137.38 8.94 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.052 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 83.6 m -63.74 -24.95 67.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.725 ' HG3' HD12 ' A' 1643 ' ' LEU . 51.7 tt0 -60.93 -18.35 56.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.277 179.895 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -57.35 -33.12 67.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.278 -179.838 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 61.5 t80 -80.17 -25.19 39.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.853 ' HA ' HD12 ' A' 1646 ' ' LEU . 62.6 mt -62.83 -24.35 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 -179.872 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -57.71 -58.16 9.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.597 -179.629 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 31.4 p30 -64.47 -12.31 42.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.073 -179.814 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' 1643 ' ' LEU . 94.4 mt -83.42 -38.66 21.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.814 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -72.19 -26.96 62.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.736 179.766 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.45 6.18 9.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.674 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.501 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 58.8 t80 -123.26 -26.4 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.64 179.916 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . 0.4 ' HA ' ' OH ' ' A' 1567 ' ' TYR . . . -67.05 -72.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.382 -179.916 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' 1654 ' ' PHE . 25.8 tt0 -69.87 -9.58 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 -179.6 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' 1656 ' ' ASN . 29.8 t70 -69.95 -65.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.821 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' 1649 ' ' PHE . 18.7 tt -70.57 -22.33 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.794 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . 0.402 ' HB3' ' HA ' ' A' 1651 ' ' GLU . 55.8 t80 -70.77 -50.98 30.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.889 179.839 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.419 ' C ' HD23 ' A' 1655 ' ' LEU . 6.2 tt -79.25 -53.65 6.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.73 -179.638 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.628 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -74.3 -71.46 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.064 -179.74 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 106.18 -170.59 16.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.583 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.2 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.901 . . . . 0.0 111.144 179.96 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 54.4 m -144.46 -36.79 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 47.7 t60 -96.54 113.62 25.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 57.7 ttp -99.21 145.24 27.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.812 179.927 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -107.17 124.65 50.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 179.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.62 -9.54 59.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.267 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' 1516 ' ' GLN . 1.3 m 56.01 -156.45 0.27 Allowed 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.122 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.469 ' O ' HD12 ' A' 1627 ' ' ILE . . . -61.12 80.09 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.227 -0.987 . . . . 0.0 111.763 178.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' 1514 ' ' CYS . 0.5 OUTLIER -48.09 127.77 12.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 0.0 110.938 -179.594 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' 1590 ' ' ASN . 15.2 ptp -95.78 154.85 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.976 -179.887 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -97.97 177.94 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.13 -176.59 0.3 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.176 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.91 -173.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . 0.664 HD13 ' HG3' ' A' 1631 ' ' PRO . 2.5 pt? -58.14 132.47 53.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . 0.468 ' OD1' HG23 ' A' 1524 ' ' THR . 52.4 t0 -152.7 133.15 13.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.727 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.537 ' HG ' HD21 ' A' 1645 ' ' ASN . 4.5 mp -82.16 22.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.315 -179.603 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . 0.468 HG23 ' OD1' ' A' 1522 ' ' ASP . 75.8 p -95.18 -20.6 19.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 111.316 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 64.7 mt -80.5 136.63 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.105 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 37.7 t -87.23 175.09 8.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.13 39.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.231 -179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.491 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.5 mt-10 -75.67 -18.26 59.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 26.4 m -62.91 -18.17 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.548 ' NH2' ' HG2' ' A' 1628 ' ' GLU . 59.9 mtt180 -122.5 -24.7 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.994 -179.851 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.721 ' HE2' HD13 ' A' 1653 ' ' ILE . 2.5 tppp? -74.47 -36.63 63.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.332 -179.766 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -74.31 7.32 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.747 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 24.0 m -135.84 -21.47 1.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.034 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -77.51 -12.27 59.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.9 t -100.45 -29.25 12.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.747 ' HE2' ' HA ' ' A' 1533 ' ' THR . 53.5 mtmt -63.36 146.57 96.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . 0.46 ' O ' ' HE2' ' A' 1604 ' ' LYS . 37.1 Cg_exo -60.24 -11.97 18.13 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.65 2.234 . . . . 0.0 112.353 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.91 -8.17 34.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.013 -179.799 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.511 ' CG2' ' HB3' ' A' 1602 ' ' MET . 46.0 mm -128.87 118.8 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.992 0.425 . . . . 0.0 111.987 -179.311 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.497 ' HB2' ' N ' ' A' 1605 ' ' GLU . . . -74.65 -73.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.366 178.837 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.723 ' HB2' HD11 ' A' 1566 ' ' ILE . 48.2 p90 -108.09 132.94 53.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.042 179.637 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.592 ' O ' ' HB2' ' A' 1567 ' ' TYR . . . -139.72 116.41 10.82 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.489 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.702 ' HB3' ' O ' ' A' 1565 ' ' ASP . 0.3 OUTLIER 176.29 -124.41 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.229 178.29 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' 1543 ' ' TYR . 36.9 ttpt -126.77 132.4 51.07 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 111.991 -177.411 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.678 HG12 ' HA ' ' A' 1563 ' ' LEU . 6.1 m -137.08 147.34 27.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.079 179.521 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.411 ' CB ' HD21 ' A' 1564 ' ' LEU . 18.5 t -117.62 156.58 27.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 111.41 -179.207 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 37.8 mm -96.82 139.3 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.412 179.547 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 2.4 t -138.56 -10.33 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.679 -179.583 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.928 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 63.4 m -157.17 132.25 8.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 111.261 179.911 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 81.4 mt -131.29 109.96 17.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 77.5 m -125.12 143.35 50.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.4 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.555 HG23 HG22 ' A' 1557 ' ' VAL . 7.3 p -133.5 137.63 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.76 179.756 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -95.86 -80.52 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.01 -179.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 15.0 m120 -131.49 -72.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.981 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 83.9 t -104.93 -45.22 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' 1584 ' ' LYS . 85.8 m-85 -83.27 120.85 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.555 HG22 HG23 ' A' 1552 ' ' VAL . 24.1 t -99.7 126.77 53.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 179.889 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.662 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.8 OUTLIER -99.62 153.18 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.164 -179.801 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -139.35 106.69 5.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.972 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.928 ' HB2' ' HB2' ' A' 1549 ' ' SER . 3.5 mmmp? -84.12 99.96 10.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.705 179.767 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -116.35 165.0 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . 0.462 ' O ' HD22 ' A' 1564 ' ' LEU . 2.4 m -121.38 120.9 36.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.939 179.808 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.798 HD21 ' HB ' ' A' 1566 ' ' ILE . 21.0 tp -69.31 100.55 1.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.207 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' 1562 ' ' THR . 4.3 mm? -59.73 -57.49 12.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.038 0.447 . . . . 0.0 110.803 -179.257 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.702 ' O ' ' HB3' ' A' 1543 ' ' TYR . 8.9 m-20 -136.04 155.95 49.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.12 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.798 ' HB ' HD21 ' A' 1563 ' ' LEU . 9.4 tp -133.5 119.8 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.749 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.622 ' H ' ' HB2' ' A' 1543 ' ' TYR . 22.3 m-85 -81.21 -67.3 0.79 Allowed 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.791 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.526 ' O ' ' HA ' ' A' 1541 ' ' TYR . 6.9 tmtm? -96.41 106.31 18.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.759 178.238 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . 0.512 HG23 ' O ' ' A' 1574 ' ' ALA . 36.1 m -48.84 137.2 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.851 -179.025 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.761 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -81.88 120.65 5.2 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.106 179.585 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.17 -22.9 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' 1605 ' ' GLU . . . -95.01 45.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.406 179.37 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 71.5 t 62.21 94.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.204 -179.599 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.761 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -149.44 122.87 9.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.846 179.75 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' 1563 ' ' LEU . 14.0 mm-40 -147.19 149.27 32.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -42.26 127.27 3.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.996 179.63 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' 1563 ' ' LEU . 16.8 t70 61.09 74.07 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.59 -179.64 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . . . . . . . . . 28.7 t -137.39 -168.09 2.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.651 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -112.2 128.74 56.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.501 HD12 ' HZ ' ' A' 1582 ' ' PHE . 9.8 pt -141.65 146.45 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.367 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 87.2 m -133.51 140.03 46.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.554 ' HB3' HD21 ' A' 1621 ' ' LEU . 4.4 m-85 -122.93 146.11 47.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.662 HG22 ' HG3' ' A' 1558 ' ' LYS . 46.9 pt -127.82 148.92 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.177 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.77 ' HB3' HD12 ' A' 1621 ' ' LEU . 54.3 pttt -147.42 -167.23 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.6 mptp? -112.63 -176.05 2.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.777 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 26.6 m -90.7 -1.61 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.028 179.762 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.6 p -95.0 -32.48 13.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' 1514 ' ' CYS . 71.2 m -70.25 83.44 0.54 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 77.4 p -92.83 -12.21 31.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.406 ' O ' ' HG2' ' A' 1517 ' ' MET . 32.8 m-80 -76.19 -24.71 54.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.739 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -105.5 88.79 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -127.86 104.48 7.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.756 179.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' 1593 ' ' LEU . 4.5 mp -81.47 161.64 23.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.8 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . . . . . . . . . 70.9 t -109.84 142.55 22.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.046 -179.89 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -70.99 136.27 48.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 63.85 65.17 3.18 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.735 179.781 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.58 ' HD3' ' HE1' ' A' 1629 ' ' TYR . 21.8 ttm180 -169.27 139.69 2.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -78.55 138.68 38.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.288 -179.671 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.531 ' OH ' ' HD2' ' A' 1597 ' ' ARG . 63.3 m-85 -144.75 131.51 20.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.412 -179.754 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.616 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 0.3 OUTLIER -68.9 123.74 21.82 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.632 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' 1626 ' ' TRP . 29.3 mt -139.05 141.88 35.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -178.829 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.511 ' HB3' ' CG2' ' A' 1539 ' ' ILE . 22.3 mtm -130.34 89.95 2.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.089 178.413 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' 1541 ' ' TYR . . . -92.87 153.87 21.73 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.439 -178.485 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' A' 1537 ' ' PRO . 29.1 tptp -91.31 162.63 14.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.661 0.267 . . . . 0.0 110.642 179.861 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.497 ' N ' ' HB2' ' A' 1540 ' ' ALA . 41.0 tt0 -52.09 132.4 32.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' 1618 ' ' ILE . . . -91.86 -170.24 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.288 -179.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' 1607 ' ' LEU . 3.4 mm? -89.83 -166.36 1.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -162.49 101.39 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.198 -179.86 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . . . . . . . . . 1.1 mt -89.23 -36.49 8.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.52 -179.092 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.774 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 61.1 tttm 52.39 91.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.247 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . 0.422 ' HB2' ' O ' ' A' 1614 ' ' SER . 96.8 m-85 -90.75 176.67 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 44.8 t30 -70.82 -41.04 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -77.12 -42.96 35.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' 1611 ' ' TYR . 47.6 t -167.87 140.48 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.774 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 36.2 p90 -68.18 153.83 42.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.98 179.807 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.674 ' HG2' HG12 ' A' 1618 ' ' ILE . 29.7 ttm180 -134.07 146.73 50.6 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.052 -179.937 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -120.61 -60.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.674 HG12 ' HG2' ' A' 1616 ' ' ARG . 46.8 mm 62.97 108.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.332 179.9 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -85.9 137.69 35.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.15 -176.15 3.09 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.575 2.183 . . . . 0.0 112.239 179.871 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.77 HD12 ' HB3' ' A' 1584 ' ' LYS . 86.1 mt -143.09 48.13 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 179.887 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -60.69 177.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' 1514 ' ' CYS . 56.6 p -78.32 8.8 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.228 -179.784 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . . . . . . . . . 1.5 pp -106.07 5.43 30.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 179.703 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 91.6 m -86.94 114.34 23.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.496 ' O ' ' HA ' ' A' 1601 ' ' ILE . 53.5 t-105 -71.75 130.41 41.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.776 179.883 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' 1515 ' ' GLY . 70.5 mt -136.16 137.22 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.616 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 9.0 tp10 -150.6 155.22 38.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.675 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.58 ' HE1' ' HD3' ' A' 1597 ' ' ARG . 18.0 t80 -91.04 120.04 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 2.2 t90 -101.27 117.35 62.33 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.251 179.496 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.664 ' HG3' HD13 ' A' 1521 ' ' LEU . 72.5 Cg_exo -50.73 102.72 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.585 2.19 . . . . 0.0 112.434 -179.832 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -60.77 -25.72 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -108.95 144.49 36.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.547 HG22 ' HG ' ' A' 1643 ' ' LEU . 81.3 p -140.91 -8.75 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.875 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 77.6 p -62.68 -39.42 93.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' 1639 ' ' CYS . 52.7 t -73.99 146.44 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 48.2 t -64.49 -36.24 83.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 47.2 t -79.37 -18.86 51.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' 1636 ' ' CYS . 82.1 m -97.69 17.66 17.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.82 ' HA ' HD23 ' A' 1643 ' ' LEU . 35.8 tt0 -135.87 74.31 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -135.96 -59.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.815 179.793 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.537 ' CB ' ' HB2' ' A' 1521 ' ' LEU . 55.2 t80 -65.36 -21.15 66.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.776 179.721 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.82 HD23 ' HA ' ' A' 1640 ' ' GLN . 2.4 mm? -64.09 -16.63 62.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -83.03 5.45 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 179.616 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . 0.537 HD21 ' HG ' ' A' 1523 ' ' LEU . 40.9 m-80 -105.29 -6.98 19.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.719 179.683 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' 1646 ' ' LEU . 2.9 mm? -101.69 -22.93 14.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -65.3 -34.52 78.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.792 -179.836 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -79.6 -31.74 41.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.689 179.863 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.462 ' O ' HG22 ' A' 1653 ' ' ILE . 84.6 t80 -81.79 -7.91 59.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.684 179.858 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -87.78 -65.6 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.637 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.87 -6.1 11.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.693 -179.063 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.57 -75.01 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.697 0.284 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.721 HD13 ' HE2' ' A' 1531 ' ' LYS . 4.3 tp -53.52 -31.7 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.992 179.851 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 68.3 t80 -70.81 -53.37 15.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.193 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 37.0 tp -87.91 -69.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 -179.422 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.629 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -60.01 -74.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.262 -179.586 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 95.66 160.16 33.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.304 -179.714 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.038 -179.861 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.2 p -147.4 -6.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 16.3 p80 -91.34 13.17 18.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 86.3 mtp -61.46 123.43 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.0 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -144.48 145.1 31.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . 0.41 ' HA ' ' ND2' ' A' 1590 ' ' ASN . 6.7 m-20 -86.59 31.11 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.055 -179.889 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' 1588 ' ' CYS . 40.5 t -49.36 128.72 17.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.575 179.644 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . . . . . . . . . . . 83.6 -46.38 3.64 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.895 -179.125 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.6 tt0 53.18 95.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.785 0.326 . . . . 0.0 111.372 179.652 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . . . . . . . . . 24.4 ptm -103.46 149.59 24.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.802 179.839 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -88.28 176.07 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.04 -179.842 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.4 -175.29 0.79 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -97.85 -85.14 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 73.0 mt -102.36 102.28 12.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.102 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -147.93 113.5 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.772 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 52.5 mt -81.38 8.29 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.005 -179.689 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 68.7 p -74.06 -21.42 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 67.7 mt -95.63 129.44 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 52.1 m -92.29 -172.64 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -74.73 -58.39 3.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.253 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.846 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 45.5 mt-10 -65.64 -15.66 62.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.337 -179.88 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . . . . . . . . . 93.0 m -56.27 -42.18 77.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' 1530 ' ' ARG . 14.6 ptt180 -115.62 0.34 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.846 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 19.8 tptm -77.85 -30.57 51.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.068 -179.833 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' 1528 ' ' GLU . 9.2 mm100 -63.81 -10.07 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.946 0.403 . . . . 0.0 110.438 179.675 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.746 ' HA ' ' HG3' ' A' 1536 ' ' LYS . 28.0 m -95.59 -18.75 20.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.891 179.772 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.44 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -77.13 3.31 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.655 -179.773 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.1 t -141.38 16.19 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.276 -179.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.746 ' HB2' HD13 ' A' 1539 ' ' ILE . 97.7 mttt -69.45 154.62 94.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.783 179.769 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.31 -20.16 55.51 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.494 2.129 . . . . 0.0 112.291 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.872 ' HG3' HD12 ' A' 1539 ' ' ILE . 5.6 pt-20 -90.67 -44.9 9.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.879 HG13 ' HA2' ' A' 1603 ' ' GLY . 2.0 mp -62.74 111.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.677 179.615 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -78.96 -54.88 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.354 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.517 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 3.9 p90 -117.39 160.08 21.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.19 0.519 . . . . 0.0 111.813 -179.329 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.672 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -149.23 100.15 3.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.989 179.477 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.65 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 1.0 OUTLIER -151.78 178.46 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 0.0 111.724 -179.095 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.527 ' HE2' ' HB2' ' A' 1565 ' ' ASP . 65.1 pttt -115.54 138.88 50.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.568 179.743 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.863 HG12 ' HA ' ' A' 1563 ' ' LEU . 10.1 m -136.45 -178.29 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.399 -179.539 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.456 ' CB ' HD11 ' A' 1564 ' ' LEU . 10.5 t -148.43 130.32 15.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 179.76 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' 1561 ' ' ALA . 49.0 mm -66.25 139.49 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.834 179.822 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 56.1 p -129.95 -26.32 2.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.552 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.782 ' HA ' ' HE2' ' A' 1595 ' ' LYS . 72.4 m -151.72 155.35 38.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.408 . . . . 0.0 111.331 -179.568 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 74.5 mt -132.92 120.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 58.3 m -109.98 140.64 43.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 -179.891 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 7.3 p -141.58 140.59 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -118.66 -77.04 0.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.201 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . 0.404 ' HA ' HD22 ' A' 1554 ' ' ASN . 1.7 t-20 -120.23 -75.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.031 -179.661 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' 1556 ' ' PHE . 5.7 m -111.35 -49.69 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.261 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . 0.419 ' N ' HG23 ' A' 1555 ' ' VAL . 96.3 m-85 -73.89 128.04 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.758 179.88 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' 1557 ' ' VAL . 5.2 p -107.85 117.1 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.281 -179.892 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.841 ' HG3' HG22 ' A' 1583 ' ' ILE . 4.0 mptp? -84.7 152.32 23.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.638 179.823 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' 1581 ' ' THR . 87.0 m-85 -131.81 113.03 13.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.24 -179.889 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -92.83 109.33 20.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.692 179.586 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.591 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -125.52 175.81 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.295 -179.851 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 5.0 m -120.35 134.86 55.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.019 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.863 ' HA ' HG12 ' A' 1545 ' ' VAL . 10.0 tp -77.23 102.34 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.396 179.464 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' 1545 ' ' VAL . 10.2 mp -57.12 -58.12 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.341 -179.022 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.618 ' O ' ' HB2' ' A' 1543 ' ' TYR . 7.1 m-20 -152.42 158.48 42.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.54 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.769 HG12 HD21 ' A' 1563 ' ' LEU . 54.5 mt -109.14 134.25 51.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.019 0.438 . . . . 0.0 111.799 -179.746 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.598 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 61.0 m-85 -113.37 -14.07 12.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.224 178.521 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.672 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 86.9 tttt -159.76 114.6 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.864 179.161 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 42.9 m -46.29 150.29 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 0.0 111.832 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.779 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -107.94 135.75 13.01 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.351 -179.837 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -63.02 -25.9 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.623 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . 0.511 ' HB2' ' H ' ' A' 1606 ' ' ALA . . . -89.7 42.53 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.337 179.436 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 84.5 t 56.56 89.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.322 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.779 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -106.85 131.94 53.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.414 179.359 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.638 ' HB3' ' HB3' ' A' 1578 ' ' SER . 35.4 tt0 -135.82 144.48 45.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.046 -179.475 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -59.18 123.9 18.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.702 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.628 ' HA ' ' O ' ' A' 1563 ' ' LEU . 18.6 t70 64.95 34.17 9.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.093 0.473 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.638 ' HB3' ' HB3' ' A' 1575 ' ' GLU . 66.9 p -84.07 -167.85 1.92 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.667 179.408 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -109.46 144.2 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.682 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.6 HD12 ' HE1' ' A' 1582 ' ' PHE . 31.2 pt -138.32 150.05 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.317 -179.876 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' 1559 ' ' TYR . 18.3 m -140.11 97.83 3.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.967 179.763 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.6 ' HE1' HD12 ' A' 1580 ' ' ILE . 60.7 m-85 -92.87 124.91 37.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.886 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.841 HG22 ' HG3' ' A' 1558 ' ' LYS . 42.2 pt -102.01 136.84 32.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.43 . . . . 0.0 111.062 179.913 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.675 ' HB2' HD23 ' A' 1621 ' ' LEU . 36.7 ttpt -125.54 155.29 40.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.847 -179.718 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.522 ' HB2' ' SG ' ' A' 1588 ' ' CYS . 66.8 mttm -82.48 -178.04 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.613 179.666 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 8.5 p -95.67 -15.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 70.2 p -86.71 -23.41 25.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.314 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' 1585 ' ' LYS . 30.1 m -59.22 108.5 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.016 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 63.7 m -99.67 -41.53 7.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' 1513 ' ' ASP . 2.7 m-20 -66.18 -18.53 65.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . . . . . . . . . . . -91.38 106.98 18.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -129.44 124.42 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 87.4 mt -122.66 151.53 41.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.49 HG13 ' HB2' ' A' 1597 ' ' ARG . 9.2 p -136.64 143.85 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.782 ' HE2' ' HA ' ' A' 1549 ' ' SER . 41.1 ttmt -76.01 126.16 30.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 115.81 -38.54 3.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.716 179.749 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.49 ' HB2' HG13 ' A' 1594 ' ' VAL . 0.0 OUTLIER -79.03 170.41 16.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.937 0.398 . . . . 0.0 111.298 -179.763 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . 0.685 ' HB2' ' HB3' ' A' 1630 ' ' TRP . 26.3 mt-30 -113.92 149.93 34.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.693 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . 0.43 ' OH ' HG12 ' A' 1594 ' ' VAL . 98.0 m-85 -143.74 135.77 26.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 111.395 -179.892 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' 1628 ' ' GLU . 51.0 tp -84.48 128.71 34.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.275 179.369 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.479 HG22 ' HE1' ' A' 1541 ' ' TYR . 41.6 mm -116.18 124.41 72.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.942 0.401 . . . . 0.0 111.64 -179.382 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . . . . . . . . . 73.4 mtp -144.68 115.42 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.321 179.758 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.879 ' HA2' HG13 ' A' 1539 ' ' ILE . . . 173.02 -164.65 36.7 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.017 -1.087 . . . . 0.0 113.541 -179.865 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' 1605 ' ' GLU . 3.9 tppp? -54.03 163.78 0.72 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.919 0.39 . . . . 0.0 111.274 -179.549 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' 1604 ' ' LYS . 12.1 pt-20 -71.43 -170.4 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . 0.513 ' HB2' ' CD2' ' A' 1619 ' ' TYR . . . -102.96 175.64 5.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.351 -179.872 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' 1607 ' ' LEU . 6.8 mp -93.26 -165.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.639 179.774 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' 1617 ' ' TYR . 8.6 tt0 -169.84 97.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.262 179.885 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.605 ' HB ' ' HB3' ' A' 1615 ' ' PHE . 5.9 mm -108.37 -22.42 5.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.446 -179.498 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.633 ' HG2' ' HB2' ' A' 1614 ' ' SER . 38.2 tptt 179.73 -141.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.266 179.895 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . 0.499 ' H ' ' HG3' ' A' 1610 ' ' LYS . 15.5 p90 -168.67 105.91 0.44 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.938 0.399 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 57.9 t30 63.69 153.25 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.318 179.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . 63.57 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.527 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . 0.633 ' HB2' ' HG2' ' A' 1610 ' ' LYS . 53.6 m -71.01 -83.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.061 -179.727 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.605 ' HB3' ' HB ' ' A' 1609 ' ' ILE . 97.4 m-85 -134.0 -158.52 0.89 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.663 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.611 ' HG2' ' H ' ' A' 1617 ' ' TYR . 67.3 ttt180 177.88 176.11 0.45 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.754 0.312 . . . . 0.0 110.658 -179.409 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.611 ' H ' ' HG2' ' A' 1616 ' ' ARG . 40.0 m-85 -57.2 -50.93 71.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.085 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' 1618 ' ' ILE . 23.8 pt 36.89 99.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.291 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' 1606 ' ' ALA . 47.7 m-85 -55.16 138.85 65.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.047 -179.81 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' 1606 ' ' ALA . 62.1 Cg_endo -72.68 -172.64 0.98 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.519 2.146 . . . . 0.0 112.019 179.757 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.691 HD11 HD11 ' A' 1627 ' ' ILE . 31.7 tp -166.15 97.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . 0.621 ' HB2' HD12 ' A' 1624 ' ' LEU . 9.9 m-20 -135.22 -167.78 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 -179.901 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 75.9 p -67.53 -32.87 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.723 -179.383 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.621 HD12 ' HB2' ' A' 1622 ' ' ASP . 0.0 OUTLIER -71.3 -7.5 47.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.739 0.304 . . . . 0.0 111.048 -179.574 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . 0.596 ' N ' HD13 ' A' 1624 ' ' LEU . 62.7 m -87.28 104.2 16.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.991 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -65.4 111.1 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.691 HD11 HD11 ' A' 1621 ' ' LEU . 67.9 mt -114.75 129.1 71.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.696 179.747 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . 0.717 ' HB3' ' HB3' ' A' 1600 ' ' LEU . 41.3 tt0 -131.52 157.3 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.111 -179.831 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -97.53 128.29 44.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 179.789 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.685 ' HB3' ' HB2' ' A' 1598 ' ' GLN . 3.3 t-105 -105.08 103.74 43.33 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.87 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.501 ' HB2' HD11 ' A' 1643 ' ' LEU . 51.8 Cg_exo -54.51 108.11 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.592 2.195 . . . . 0.0 112.323 -179.84 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -75.42 -25.45 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.765 179.827 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -90.23 128.75 36.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.774 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.434 HG22 ' HG ' ' A' 1643 ' ' LEU . 77.8 p -133.66 -57.78 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 10.2 t -91.35 10.51 27.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 85.1 m -76.22 -33.58 59.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 51.9 m -137.27 -78.63 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 79.9 p -173.27 8.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.973 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 17.7 p -82.49 98.88 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.454 ' HA ' HD23 ' A' 1643 ' ' LEU . 48.7 mt-30 -141.84 -5.81 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -65.82 -33.43 75.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 69.3 t80 -78.26 -42.14 31.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.544 ' H ' HD22 ' A' 1643 ' ' LEU . 2.8 mm? -65.35 -13.94 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -78.43 -32.06 48.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.855 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -70.35 -28.57 65.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.755 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.427 HD23 ' CZ3' ' A' 1630 ' ' TRP . 8.9 mp -79.06 -17.93 54.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.77 -46.67 81.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 179.853 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' 1652 ' ' ASP . 10.3 tp10 -69.73 -40.82 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.67 179.768 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.476 ' O ' HG22 ' A' 1653 ' ' ILE . 89.4 t80 -61.03 -24.27 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.062 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -76.16 -55.31 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.567 -179.687 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -75.04 -4.88 41.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.408 -179.15 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.709 ' HA ' HD22 ' A' 1656 ' ' ASN . 14.0 t70 -85.72 -62.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.734 HD13 ' HE3' ' A' 1531 ' ' LYS . 6.8 tp -60.86 -25.44 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.975 0.416 . . . . 0.0 110.909 179.775 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 66.5 t80 -78.14 -49.77 13.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.218 -179.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 4.4 tt -90.35 -69.29 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.978 -179.415 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.709 HD22 ' HA ' ' A' 1652 ' ' ASP . 24.9 m-80 -58.1 -18.58 25.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.555 -179.58 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' 1653 ' ' ILE . . . 71.77 -123.22 9.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.31 -179.811 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.935 179.807 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 55.9 m -86.83 -66.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.786 0.327 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -157.12 -3.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.4 ptm -167.45 139.49 3.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -150.51 122.46 8.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 179.913 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.56 -81.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . . . . . . . . . 42.2 t 50.57 35.14 10.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.376 0.607 . . . . 0.0 110.706 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.779 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 160.52 -48.09 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.103 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' 1515 ' ' GLY . 25.9 mt-30 74.32 -48.28 0.65 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.856 0.463 . . . . 0.0 111.863 179.565 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.519 ' HG2' ' HA ' ' A' 1591 ' ' ALA . 24.9 mmt 54.21 -172.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 111.08 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -143.46 148.53 36.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.785 179.851 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -69.69 170.07 11.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.45 120.99 21.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 70.3 mt 57.12 94.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.069 -179.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -121.2 99.88 6.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.509 179.9 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.82 89.93 8.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.392 -179.425 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . 0.409 ' H ' ' H ' ' A' 1525 ' ' ILE . 7.7 t -179.86 -13.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.772 179.64 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . 0.507 HG23 HG21 ' A' 1529 ' ' THR . 80.6 mt -95.75 137.7 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . . . . . . . . . 79.6 p -84.84 -177.45 6.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' 1531 ' ' LYS . . . -101.06 -13.15 18.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -93.81 -6.15 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . 0.507 HG21 HG23 ' A' 1525 ' ' ILE . 10.1 t -70.98 -31.36 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.437 HH21 HD23 ' A' 1646 ' ' LEU . 15.4 ptt-85 -110.88 -22.21 11.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.135 -179.564 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.603 ' HA ' ' HE1' ' A' 1649 ' ' PHE . 13.1 tmtt? -59.56 -50.53 73.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' 1536 ' ' LYS . 11.6 pt20 -64.83 -16.28 62.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.189 179.442 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.46 HG23 ' NZ ' ' A' 1536 ' ' LYS . 90.7 m -83.26 -26.92 30.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.71 179.578 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . 0.489 ' HB2' ' SD ' ' A' 1602 ' ' MET . . . -67.47 -64.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.042 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.7 t -65.5 -10.1 31.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.803 ' HE3' ' HB3' ' A' 1538 ' ' GLU . 38.6 ttpt -59.66 137.32 89.8 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.831 179.833 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.41 -14.4 12.5 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.674 2.249 . . . . 0.0 112.798 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.803 ' HB3' ' HE3' ' A' 1536 ' ' LYS . 42.2 tt0 -79.95 -31.01 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.716 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.873 HG13 ' HA2' ' A' 1603 ' ' GLY . 1.7 mp -104.78 112.14 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.665 179.775 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.667 ' HB1' ' HG3' ' A' 1571 ' ' GLU . . . -67.25 -70.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.551 -179.743 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.507 ' HB3' ' HA2' ' A' 1570 ' ' GLY . 4.5 p90 -96.21 155.91 16.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.397 0.618 . . . . 0.0 111.898 -179.13 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.678 ' HB3' ' HB3' ' A' 1568 ' ' LYS . . . -145.05 96.59 2.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.506 179.202 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.665 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 0.5 OUTLIER -150.91 176.45 11.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.216 0.532 . . . . 0.0 112.042 -178.795 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.469 ' HG2' HD12 ' A' 1564 ' ' LEU . 84.0 tttt -111.71 136.61 50.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.322 179.504 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' 1563 ' ' LEU . 17.7 m -129.65 -175.07 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.373 . . . . 0.0 111.351 -179.692 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.483 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.1 t -151.0 122.01 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.825 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . 0.652 HD11 HD13 ' A' 1593 ' ' LEU . 43.1 mm -58.09 136.72 21.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . 0.472 ' O ' ' HE2' ' A' 1595 ' ' LYS . 46.3 p -132.21 -18.3 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.345 -179.679 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 65.3 m -153.11 138.18 17.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.896 0.379 . . . . 0.0 111.37 -179.562 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . . . . . . . . . 82.3 mt -131.31 111.41 19.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 57.2 m -107.36 137.46 45.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . . . . . . . . . 11.8 p -129.07 141.1 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -120.36 -166.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -53.62 -58.43 7.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.506 ' O ' ' HB ' ' A' 1586 ' ' VAL . 32.4 t -118.24 -56.37 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -65.82 163.74 16.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 7.3 p -156.05 140.07 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 179.822 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.68 ' HG2' HG22 ' A' 1583 ' ' ILE . 91.1 mttt -125.18 154.84 40.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.951 0.405 . . . . 0.0 111.402 -179.462 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -133.17 102.62 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.564 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.403 ' HB2' ' HB2' ' A' 1549 ' ' SER . 60.2 mttp -87.87 132.75 34.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.778 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . 0.532 ' HB2' HD13 ' A' 1547 ' ' ILE . . . -141.43 167.0 23.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.31 -179.718 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 3.5 m -108.24 125.52 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.016 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.829 ' HA ' HG12 ' A' 1545 ' ' VAL . 14.0 tp -65.64 112.11 3.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.225 179.314 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.61 ' H ' ' HA ' ' A' 1545 ' ' VAL . 81.9 mt -65.73 -59.48 3.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.204 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.633 ' O ' ' HB2' ' A' 1543 ' ' TYR . 8.6 m-20 -152.86 154.43 35.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 -179.767 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.688 HG12 HD21 ' A' 1563 ' ' LEU . 54.9 mt -102.05 130.52 51.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.906 0.384 . . . . 0.0 111.88 -179.65 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.608 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 52.9 m-85 -106.31 -15.99 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.103 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.678 ' HB3' ' HB3' ' A' 1542 ' ' ALA . 82.9 tttt -159.93 107.8 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.412 178.875 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 34.5 m -43.21 137.06 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.361 0.601 . . . . 0.0 112.274 -178.985 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.704 ' H ' ' HB3' ' A' 1574 ' ' ALA . . . -84.09 139.39 18.34 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.597 179.113 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . 0.667 ' HG3' ' HB1' ' A' 1540 ' ' ALA . 28.4 mt-10 -53.2 -20.86 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.182 0.515 . . . . 0.0 110.087 179.761 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -90.33 -157.02 0.45 Allowed 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.735 178.449 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' 1573 ' ' VAL . 11.7 p -82.9 42.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.232 0.539 . . . . 0.0 110.978 179.631 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . 0.704 ' HB3' ' H ' ' A' 1570 ' ' GLY . . . -67.52 114.68 6.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.774 179.662 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.542 ' HB2' ' OG ' ' A' 1578 ' ' SER . 23.1 mm-40 -134.02 144.71 48.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.571 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.474 ' NZ ' ' HB3' ' A' 1576 ' ' LYS . 6.0 ttpm? -52.07 121.66 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.68 -179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.616 ' HA ' ' O ' ' A' 1563 ' ' LEU . 20.3 t70 65.7 60.14 0.72 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.732 -179.855 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.542 ' OG ' ' HB2' ' A' 1575 ' ' GLU . 52.2 m -115.48 -175.86 2.8 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.718 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -105.48 133.74 49.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.716 179.772 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.616 HD12 ' HE2' ' A' 1582 ' ' PHE . 8.5 pt -139.38 140.36 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 -179.639 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 18.9 m -122.34 112.96 18.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.616 ' HE2' HD12 ' A' 1580 ' ' ILE . 89.7 m-85 -98.43 101.33 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.772 179.729 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.68 HG22 ' HG2' ' A' 1558 ' ' LYS . 36.1 pt -85.65 158.82 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.213 -179.801 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' 1585 ' ' LYS . 6.0 tmmm? -164.03 143.33 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.445 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' 1584 ' ' LYS . 46.0 mmtm -57.6 -89.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.061 -179.749 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' A' 1555 ' ' VAL . 14.6 p 177.25 -15.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 82.6 p -68.12 -36.52 79.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.061 -179.727 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . . . . . . . . . 3.3 m -60.64 95.19 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 61.0 m -92.01 -36.58 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.354 -179.749 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.43 -26.52 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.779 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -95.97 119.27 34.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -150.14 148.57 29.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.783 179.927 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . 0.652 HD13 HD11 ' A' 1547 ' ' ILE . 92.1 mt -128.38 145.3 51.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.655 ' HB ' ' HD2' ' A' 1597 ' ' ARG . 57.6 t -105.2 141.54 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . 0.472 ' HE2' ' O ' ' A' 1548 ' ' THR . 59.1 tttm -77.67 133.06 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.087 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 94.75 -15.04 64.2 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.733 179.653 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.655 ' HD2' ' HB ' ' A' 1594 ' ' VAL . 93.6 mtt180 -92.11 173.94 7.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.047 0.451 . . . . 0.0 111.481 -179.812 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -113.61 138.53 50.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -142.98 135.52 27.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.964 0.412 . . . . 0.0 111.43 -179.804 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.59 ' O ' ' HA ' ' A' 1627 ' ' ILE . 46.9 tp -83.53 134.26 34.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.881 179.06 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.487 HG12 HG12 ' A' 1627 ' ' ILE . 83.4 mt -131.17 131.9 63.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.091 0.472 . . . . 0.0 112.173 -179.072 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.508 ' HB3' HG21 ' A' 1539 ' ' ILE . 28.0 mtm -144.92 123.19 12.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.93 179.018 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.873 ' HA2' HG13 ' A' 1539 ' ' ILE . . . -178.95 -170.91 41.56 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.049 -1.072 . . . . 0.0 113.336 -179.587 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.426 ' HG2' HD21 ' A' 1624 ' ' LEU . 37.6 mmtm -51.27 165.37 0.14 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.881 0.372 . . . . 0.0 111.387 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.654 ' HB3' ' HB2' ' A' 1571 ' ' GLU . 12.5 pt-20 -71.02 -170.91 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.055 -179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -95.09 -178.65 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.25 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' 1617 ' ' TYR . 94.8 mt -103.21 -164.05 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -174.63 102.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.468 HG22 ' CB ' ' A' 1616 ' ' ARG . 10.0 tp -95.96 4.91 8.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.403 -179.319 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.539 ' HA ' ' HD1' ' A' 1615 ' ' PHE . 0.0 OUTLIER 60.33 -160.43 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.287 179.557 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . 0.523 ' HB2' ' O ' ' A' 1610 ' ' LYS . 78.2 m-85 75.98 28.11 0.88 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.207 179.738 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -150.34 173.67 13.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.649 179.605 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . . . . . . . . . . . -75.46 6.8 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 110.615 179.633 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 79.7 p -170.97 22.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.137 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.571 ' HD2' ' HE1' ' A' 1617 ' ' TYR . 6.5 m-85 65.93 168.55 0.21 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.74 -179.817 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.643 ' HG2' HG23 ' A' 1618 ' ' ILE . 34.6 ttm180 -71.04 -68.45 0.44 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 0.0 111.839 -178.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.581 ' HA ' ' O ' ' A' 1607 ' ' LEU . 21.4 m-85 67.95 94.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.18 -179.405 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.643 HG23 ' HG2' ' A' 1616 ' ' ARG . 40.9 pt -123.0 163.94 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.602 179.16 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . 0.559 ' O ' ' HA ' ' A' 1582 ' ' PHE . 6.3 m-85 -116.54 129.44 25.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.129 -179.133 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.07 -177.69 3.66 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.645 2.23 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . . . . . . . . . 58.6 tp -153.65 111.45 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -161.75 -164.51 1.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.887 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.3 p -60.12 -39.52 86.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.219 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.541 HD11 ' HG2' ' A' 1538 ' ' GLU . 66.1 tp -59.71 -25.9 65.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 -179.856 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 46.2 m -80.2 100.02 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.057 -179.878 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . 0.438 ' O ' ' HA ' ' A' 1601 ' ' ILE . 69.4 t-105 -70.68 110.87 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' 1600 ' ' LEU . 67.5 mt -124.48 132.22 71.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.97 179.922 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -134.5 137.93 44.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.405 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 50.0 t80 -72.51 110.31 6.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.774 179.663 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -84.45 111.9 37.78 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.239 179.697 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.491 ' HB2' HD11 ' A' 1643 ' ' LEU . 83.1 Cg_exo -47.21 106.57 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.584 2.189 . . . . 0.0 112.454 -179.586 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -54.24 -33.15 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.022 179.847 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -106.41 157.38 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.886 HG22 ' HG ' ' A' 1643 ' ' LEU . 82.4 p -131.27 -65.04 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.277 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 77.2 p -107.64 6.8 28.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.156 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 82.2 m -65.08 -47.54 76.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 46.7 t -163.15 -5.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 41.9 t -90.91 -30.49 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.919 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . . . . . . . . . 49.8 t 56.33 69.82 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 37.28 73.8 0.09 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.738 179.581 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -90.3 -65.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.178 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . . . . . . . . . 58.7 t80 -102.2 -13.64 17.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.727 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.886 ' HG ' HG22 ' A' 1634 ' ' THR . 2.5 mm? -67.63 -19.23 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.962 -179.798 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.95 99.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -76.1 -24.3 54.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.685 179.893 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.537 HD12 HD13 ' A' 1643 ' ' LEU . 97.2 mt -77.59 -27.63 51.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 179.929 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -67.77 -29.39 68.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.723 179.751 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -85.31 7.45 22.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.87 179.827 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.603 ' HE1' ' HA ' ' A' 1531 ' ' LYS . 80.5 t80 -117.62 -40.63 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -69.37 -48.64 60.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -79.27 -4.86 52.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.222 -179.55 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' 1656 ' ' ASN . 17.4 t70 -95.77 -25.1 16.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . . . . . . . . . 9.0 tp -96.68 -22.13 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 179.736 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 45.2 t80 -89.15 -46.95 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . . . . . . . . . 33.1 tp -84.39 -63.58 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.009 -179.343 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.656 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -70.12 -43.22 71.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.167 -179.594 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 62.55 -168.46 17.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.502 -179.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . . . . . . . . . 51.7 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.907 179.926 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A 1508 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A 1509 ' ' SER . . . . . . . . . . . . . 80.1 p -88.06 3.79 47.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1510 ' ' HIS . . . . . . . . . . . . . 43.7 t60 -81.13 -45.09 16.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1511 ' ' MET . . . . . . . . . . . . . 26.6 ptt? -98.87 150.55 21.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -168.38 -74.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1513 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -140.38 26.18 2.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.741 179.823 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1514 ' ' CYS . . . . . 0.477 ' CB ' ' HA ' ' A' 1588 ' ' CYS . 7.4 t -48.78 103.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.267 179.67 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1515 ' ' GLY . . . . . 0.796 ' HA3' ' HB2' ' A' 1591 ' ' ALA . . . 80.27 45.54 8.06 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.609 -178.911 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1516 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -45.23 123.78 4.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.323 -0.439 . . . . 0.0 111.532 -179.495 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1517 ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' 1515 ' ' GLY . 63.3 mtt -121.66 -169.56 1.89 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.803 179.578 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1518 ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -123.98 158.26 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -71.61 177.66 3.97 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.081 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1520 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.59 -80.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1521 ' ' LEU . . . . . . . . . . . . . 82.7 mt -101.71 108.48 20.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1522 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -128.02 97.61 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 71.5 mt -87.41 91.67 8.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.227 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1524 ' ' THR . . . . . . . . . . . . . 8.4 t -177.48 -16.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.849 179.694 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1525 ' ' ILE . . . . . . . . . . . . . 76.6 mt -94.81 127.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1526 ' ' SER . . . . . 0.488 ' HB2' ' OG1' ' A' 1529 ' ' THR . 36.7 m -87.41 163.46 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1527 ' ' ALA . . . . . . . . . . . . . . . -62.53 -57.94 9.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1528 ' ' GLU . . . . . 0.574 ' HA ' ' HB3' ' A' 1531 ' ' LYS . 6.1 pt-20 -58.62 -26.01 63.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.543 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1529 ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' A' 1526 ' ' SER . 85.1 m -58.15 -44.23 87.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.315 -179.856 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1530 ' ' ARG . . . . . 0.436 ' NH2' HD23 ' A' 1646 ' ' LEU . 49.7 ptt85 -100.36 -14.15 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.054 -179.812 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1531 ' ' LYS . . . . . 0.574 ' HB3' ' HA ' ' A' 1528 ' ' GLU . 1.2 tmtp? -68.25 -38.07 81.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.915 -179.798 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1532 ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' 1528 ' ' GLU . 49.0 mt-30 -58.89 -18.79 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.951 0.405 . . . . 0.0 110.268 179.492 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.836 ' HA ' ' HE2' ' A' 1536 ' ' LYS . 45.7 m -83.48 -28.86 28.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.578 179.619 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1534 ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.98 73.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.014 179.737 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 38.8 t -87.85 2.02 52.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.584 179.884 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1536 ' ' LYS . . . . . 0.836 ' HE2' ' HA ' ' A' 1533 ' ' THR . 23.5 ttmm -57.81 138.82 82.66 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 179.91 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.38 -20.05 61.36 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.451 2.101 . . . . 0.0 112.143 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1538 ' ' GLU . . . . . 0.629 ' H ' ' HG2' ' A' 1536 ' ' LYS . 41.4 tt0 -85.53 -16.92 37.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.771 179.853 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1539 ' ' ILE . . . . . 0.751 HD12 ' HA2' ' A' 1603 ' ' GLY . 48.8 mm -112.19 118.44 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.891 179.874 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.465 ' O ' ' HD2' ' A' 1568 ' ' LYS . . . -77.92 -69.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.599 -179.774 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1541 ' ' TYR . . . . . 0.483 ' HB2' ' CE2' ' A' 1543 ' ' TYR . 7.2 p90 -96.48 151.64 19.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.372 0.606 . . . . 0.0 112.089 -178.842 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1542 ' ' ALA . . . . . 0.45 ' HB1' ' SD ' ' A' 1602 ' ' MET . . . -146.12 97.84 3.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.699 179.305 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1543 ' ' TYR . . . . . 0.815 ' HB3' ' HA ' ' A' 1566 ' ' ILE . 7.2 p90 -154.03 174.29 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.135 0.493 . . . . 0.0 112.107 -178.735 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.54 ' HG3' ' HB2' ' A' 1564 ' ' LEU . 62.4 pttt -111.02 147.78 34.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.596 178.819 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1545 ' ' VAL . . . . . 0.84 HG12 ' HA ' ' A' 1563 ' ' LEU . 13.4 m -137.64 -176.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.94 0.4 . . . . 0.0 111.662 -178.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1546 ' ' SER . . . . . 0.771 ' HB2' HD11 ' A' 1564 ' ' LEU . 23.0 t -145.04 124.9 13.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.932 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1547 ' ' ILE . . . . . . . . . . . . . 42.6 mm -69.48 138.5 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.79 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1548 ' ' THR . . . . . . . . . . . . . 66.3 p -128.81 -29.59 2.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.618 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.609 ' HB2' ' HB2' ' A' 1560 ' ' LYS . 72.9 m -151.27 152.98 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 111.424 -179.521 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1550 ' ' ILE . . . . . 0.469 HG12 ' HD2' ' A' 1559 ' ' TYR . 76.5 mt -133.98 134.92 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.82 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1551 ' ' THR . . . . . . . . . . . . . 83.0 m -136.35 129.02 30.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.227 -179.866 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1552 ' ' VAL . . . . . 0.685 HG13 HG22 ' A' 1557 ' ' VAL . 93.7 t -101.58 124.22 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.786 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1553 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -116.67 95.73 5.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1554 ' ' ASN . . . . . . . . . . . . . 13.7 m120 56.69 -88.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.353 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.457 HG13 HG12 ' A' 1586 ' ' VAL . 88.7 t -107.11 -58.37 3.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.042 -179.851 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1556 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -69.09 119.24 13.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . 0.685 HG22 HG13 ' A' 1552 ' ' VAL . 59.8 t -95.28 114.97 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1558 ' ' LYS . . . . . 0.514 ' HG3' HG22 ' A' 1583 ' ' ILE . 0.9 OUTLIER -86.64 160.31 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 179.918 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A 1559 ' ' TYR . . . . . 0.469 ' HD2' HG12 ' A' 1550 ' ' ILE . 97.2 m-85 -139.5 112.32 7.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1560 ' ' LYS . . . . . 0.609 ' HB2' ' HB2' ' A' 1549 ' ' SER . 75.7 mmtt -85.4 102.66 13.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.578 179.744 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1561 ' ' ALA . . . . . . . . . . . . . . . -122.97 -177.35 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.187 -179.723 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1562 ' ' THR . . . . . . . . . . . . . 2.6 m -136.45 124.98 23.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1563 ' ' LEU . . . . . 0.84 ' HA ' HG12 ' A' 1545 ' ' VAL . 3.7 tt -59.94 136.26 57.95 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.561 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1564 ' ' LEU . . . . . 0.771 HD11 ' HB2' ' A' 1546 ' ' SER . 91.7 mt -96.16 -49.03 5.41 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.526 -179.091 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1565 ' ' ASP . . . . . 0.513 ' HA ' ' HB2' ' A' 1576 ' ' LYS . 9.7 t70 -156.74 127.31 6.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1566 ' ' ILE . . . . . 0.815 ' HA ' ' HB3' ' A' 1543 ' ' TYR . 2.7 pt -87.53 110.42 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.937 -179.686 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1567 ' ' TYR . . . . . 0.662 ' HD1' ' HA ' ' A' 1543 ' ' TYR . 79.8 m-85 -85.2 -16.19 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.6 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1568 ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' 1540 ' ' ALA . 9.9 tmtt? -157.94 87.61 0.94 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.823 178.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1569 ' ' THR . . . . . . . . . . . . . 97.8 m -36.34 136.11 0.34 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.418 -178.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1570 ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' 1541 ' ' TYR . . . -71.34 -153.74 1.45 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.156 179.493 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1571 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -129.59 -19.45 3.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.87 0.367 . . . . 0.0 110.553 179.71 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1572 ' ' ALA . . . . . . . . . . . . . . . -110.84 73.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.385 179.33 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1573 ' ' VAL . . . . . . . . . . . . . 90.8 t 53.74 91.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.173 -179.506 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1574 ' ' ALA . . . . . . . . . . . . . . . -129.41 146.58 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . 0.861 ' HB2' ' HB3' ' A' 1578 ' ' SER . 13.8 mm-40 -156.04 159.57 39.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.802 -179.722 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.708 ' HB3' HG12 ' A' 1566 ' ' ILE . 0.0 OUTLIER -78.23 39.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.26 -179.737 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A 1577 ' ' ASP . . . . . 0.71 ' HA ' ' O ' ' A' 1563 ' ' LEU . 18.7 t70 165.41 16.7 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.567 -179.49 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1578 ' ' SER . . . . . 0.861 ' HB3' ' HB2' ' A' 1575 ' ' GLU . 31.7 p -76.13 -170.45 1.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.044 0.45 . . . . 0.0 111.31 -179.754 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1579 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -97.85 147.99 23.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.572 179.885 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1580 ' ' ILE . . . . . 0.666 HD12 ' HE2' ' A' 1582 ' ' PHE . 20.5 pt -146.08 147.18 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.46 -179.616 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1581 ' ' THR . . . . . . . . . . . . . 15.4 m -136.41 100.4 4.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 179.689 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1582 ' ' PHE . . . . . 0.666 ' HE2' HD12 ' A' 1580 ' ' ILE . 90.6 m-85 -84.74 152.68 23.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.06 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1583 ' ' ILE . . . . . 0.812 HD13 HD12 ' A' 1618 ' ' ILE . 36.9 pt -135.32 136.79 50.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 179.563 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1584 ' ' LYS . . . . . 0.516 ' HB2' HD12 ' A' 1621 ' ' LEU . 37.3 ttpt -132.53 145.86 51.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.701 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1585 ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' 1585 ' ' LYS . 3.7 mptp? -82.4 129.17 34.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 179.625 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . 0.457 HG12 HG13 ' A' 1555 ' ' VAL . 12.2 p -65.7 -8.43 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1587 ' ' THR . . . . . . . . . . . . . 66.7 p -86.74 -6.74 58.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.57 -179.767 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1588 ' ' CYS . . . . . 0.477 ' HA ' ' CB ' ' A' 1514 ' ' CYS . 34.0 m -72.77 -178.06 2.56 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.905 0.383 . . . . 0.0 111.051 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1589 ' ' THR . . . . . . . . . . . . . 48.9 m -154.62 -23.54 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.166 -179.841 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1590 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.18 9.03 38.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.07 -179.677 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1591 ' ' ALA . . . . . 0.796 ' HB2' ' HA3' ' A' 1515 ' ' GLY . . . -122.69 114.56 20.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 111.191 179.851 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1592 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -139.78 140.47 36.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.728 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1593 ' ' LEU . . . . . . . . . . . . . 88.6 mt -125.65 169.8 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.115 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1594 ' ' VAL . . . . . 0.787 HG11 ' HD2' ' A' 1597 ' ' ARG . 11.9 p -145.98 147.23 18.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1595 ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -90.79 127.44 36.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.025 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1596 ' ' GLY . . . . . . . . . . . . . . . 115.65 -24.23 10.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.771 179.796 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.787 ' HD2' HG11 ' A' 1594 ' ' VAL . 91.6 mtt180 -96.96 176.12 6.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 0.0 111.485 -179.857 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1598 ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -116.83 150.08 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1599 ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -142.94 144.91 32.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.495 -179.742 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1600 ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' 1627 ' ' ILE . 50.1 tp -93.65 120.98 34.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.208 179.3 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1601 ' ' ILE . . . . . 0.511 HD13 HG22 ' A' 1545 ' ' VAL . 3.1 mp -117.21 129.47 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.124 0.488 . . . . 0.0 112.053 -179.164 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1602 ' ' MET . . . . . 0.45 ' SD ' ' HB1' ' A' 1542 ' ' ALA . 31.6 mtm -141.62 111.1 6.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.481 178.841 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.751 ' HA2' HD12 ' A' 1539 ' ' ILE . . . -159.71 -177.32 32.7 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 119.995 -1.098 . . . . 0.0 113.651 -178.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1604 ' ' LYS . . . . . 0.522 ' HG3' ' N ' ' A' 1605 ' ' GLU . 16.7 tppt? -62.07 163.52 7.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.688 0.28 . . . . 0.0 111.063 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1605 ' ' GLU . . . . . 0.522 ' N ' ' HG3' ' A' 1604 ' ' LYS . 32.9 tt0 -48.02 150.77 1.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.248 179.9 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1606 ' ' ALA . . . . . . . . . . . . . . . -68.27 177.33 2.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1607 ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' 1607 ' ' LEU . 7.1 mp -78.97 176.61 9.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.733 179.873 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1608 ' ' GLN . . . . . 0.663 ' HG2' ' HE1' ' A' 1617 ' ' TYR . 46.6 mt-30 -151.42 96.06 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.317 -179.721 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1609 ' ' ILE . . . . . 0.438 ' HB ' ' HB3' ' A' 1616 ' ' ARG . 1.7 mm -100.15 -10.96 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.461 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1610 ' ' LYS . . . . . 0.873 ' HA ' ' HA ' ' A' 1615 ' ' PHE . 20.8 ptmt 34.87 77.14 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.729 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1611 ' ' TYR . . . . . . . . . . . . . 78.9 t80 -84.04 112.84 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.609 179.827 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1612 ' ' ASN . . . . . 0.574 HD22 ' N ' ' A' 1612 ' ' ASN . 0.8 OUTLIER 59.75 -156.25 0.34 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 -179.761 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A 1613 ' ' ALA . . . . . 0.43 ' H ' ' HB3' ' A' 1612 ' ' ASN . . . -56.4 -18.54 11.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.835 0.35 . . . . 0.0 111.256 179.909 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1614 ' ' SER . . . . . . . . . . . . . 37.3 t -99.44 176.01 5.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1615 ' ' PHE . . . . . 0.873 ' HA ' ' HA ' ' A' 1610 ' ' LYS . 76.8 m-85 -120.57 142.8 49.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1616 ' ' ARG . . . . . 0.438 ' HB3' ' HB ' ' A' 1609 ' ' ILE . 79.3 ttt180 -104.75 104.89 14.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1617 ' ' TYR . . . . . 0.663 ' HE1' ' HG2' ' A' 1608 ' ' GLN . 29.6 m-85 -107.62 126.31 52.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1618 ' ' ILE . . . . . 0.812 HD12 HD13 ' A' 1583 ' ' ILE . 25.0 pt -139.26 156.01 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.701 179.516 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1619 ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -112.82 132.67 22.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.289 -179.297 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.86 176.95 8.75 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.63 2.22 . . . . 0.0 112.254 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1621 ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' 1582 ' ' PHE . 98.3 mt -145.2 23.31 1.5 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1622 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.35 -167.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.272 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1623 ' ' SER . . . . . . . . . . . . . 80.8 p -61.84 -44.33 97.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.247 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1624 ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' 1624 ' ' LEU . 3.0 tm? -56.53 -31.19 63.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1625 ' ' THR . . . . . . . . . . . . . 37.9 m -62.16 116.52 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.283 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1626 ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -85.98 112.92 21.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.694 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' 1600 ' ' LEU . 66.3 mt -126.63 130.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1628 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -138.53 114.59 10.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.74 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1629 ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' A' 1597 ' ' ARG . 66.2 t80 -53.14 132.2 37.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.195 -179.896 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1630 ' ' TRP . . . . . 0.422 ' CE2' HD13 ' A' 1646 ' ' LEU . 4.5 t-105 -99.39 105.62 34.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.229 179.488 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1631 ' ' PRO . . . . . 0.82 ' HG2' ' HB3' ' A' 1642 ' ' PHE . 72.0 Cg_exo -48.41 105.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.56 2.174 . . . . 0.0 112.546 -179.75 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1632 ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' 1632 ' ' ARG . 6.8 tpm_? -68.79 -36.07 77.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1633 ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -75.54 140.11 42.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1634 ' ' THR . . . . . 0.702 HG22 ' HG ' ' A' 1643 ' ' LEU . 65.6 p -150.63 84.22 1.36 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.411 HG23 ' OE1' ' A' 1640 ' ' GLN . 40.5 p -55.59 -22.94 24.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.312 179.88 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1636 ' ' CYS . . . . . . . . . . . . . 75.6 m -86.19 -176.9 6.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1637 ' ' SER . . . . . . . . . . . . . 80.8 p -106.79 8.75 31.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -179.898 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1638 ' ' SER . . . . . . . . . . . . . 53.2 m -150.9 -50.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1639 ' ' CYS . . . . . 0.412 ' HA ' ' HB3' ' A' 1643 ' ' LEU . 30.1 p -153.01 126.58 8.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 -179.902 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1640 ' ' GLN . . . . . 0.847 ' HB3' HD23 ' A' 1643 ' ' LEU . 7.8 tt0 -86.08 -98.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.388 -179.681 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1641 ' ' ALA . . . . . . . . . . . . . . . -98.43 -86.98 0.35 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.808 -179.956 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1642 ' ' PHE . . . . . 0.82 ' HB3' ' HG2' ' A' 1631 ' ' PRO . 32.0 t80 -65.18 -16.48 63.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.394 0.616 . . . . 0.0 109.488 179.117 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1643 ' ' LEU . . . . . 0.847 HD23 ' HB3' ' A' 1640 ' ' GLN . 2.8 mm? -62.63 -28.75 70.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1644 ' ' ALA . . . . . . . . . . . . . . . -66.47 -25.25 66.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.635 179.516 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1645 ' ' ASN . . . . . . . . . . . . . 6.7 m120 -87.49 -30.19 20.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.436 179.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1646 ' ' LEU . . . . . 0.593 HD12 HD13 ' A' 1643 ' ' LEU . 76.3 mt -75.47 -26.69 58.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.777 179.886 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1647 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.64 -29.49 67.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1648 ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -82.96 2.16 36.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.796 179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1649 ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' 1653 ' ' ILE . 89.3 t80 -112.14 -43.75 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.852 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1650 ' ' ALA . . . . . . . . . . . . . . . -61.17 -16.33 43.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.54 -179.769 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1651 ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -114.1 -3.16 13.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.137 -179.534 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1652 ' ' ASP . . . . . 0.541 ' O ' ' HB2' ' A' 1656 ' ' ASN . 19.0 t70 -102.24 -20.91 14.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.251 -179.891 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1653 ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' 1649 ' ' PHE . 9.7 tp -107.09 -25.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.946 0.403 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1654 ' ' PHE . . . . . . . . . . . . . 47.4 t80 -85.27 -48.88 8.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1655 ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' 1655 ' ' LEU . 5.4 tt -72.44 -45.07 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.637 -179.378 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A 1656 ' ' ASN . . . . . 0.662 HD22 ' N ' ' A' 1656 ' ' ASN . 0.8 OUTLIER -80.27 -75.62 0.26 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.193 -179.538 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 130.33 -56.46 0.74 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A 1658 ' ' CYS . . . . . 0.403 ' OXT' ' HE2' ' A' 1531 ' ' LYS . 43.7 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 stop_ save_